N-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate

C226H334Cl2F2N34O46S16 — CID 160653098

IUPACN-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)NCCCN1CCOCC1.CC(C)(C)S(=O)(=O)NCCCCC(=O)NCCSCc1c(Cl)cccc1Cl.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1c2ccccc2nc2ccccc12.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cc(-c2ccco2)[nH]n1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ncccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccnc1Oc1ccc(F)cc1F.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cnc2ccccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1nc(-c2cccc3ccccc23)cs1.CCN(CCNC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1ccccc1.COC(=O)c1scc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1C(=O)OC.COc1ccc(CCNC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1OC.COc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c(Sc2ccccc2)n1
InChIInChI=1S/C22H27N3O3S2.C22H27N3O3S.C21H29N3O4S2.C20H25F2N3O4S.C19H33N3O3S.C19H32N2O5S.C18H28Cl2N2O3S2.2C18H25N3O3S.C17H26N2O7S2.C16H24N4O4S.C16H33N3O4S/c1-22(2,3)30(27,28)23-14-7-6-13-20(26)25-21-24-19(15-29-21)18-12-8-10-16-9-4-5-11-17(16)18;1-22(2,3)29(27,28)23-15-9-8-14-20(26)25-21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21;1-21(2,3)30(26,27)22-15-9-8-12-18(25)23-17-13-14-19(28-4)24-20(17)29-16-10-6-5-7-11-16;1-20(2,3)30(27,28)24-12-5-4-8-18(26)25-16-7-6-11-23-19(16)29-17-10-9-14(21)13-15(17)22;1-5-22(17-11-7-6-8-12-17)16-15-20-18(23)13-9-10-14-21-26(24,25)19(2,3)4;1-19(2,3)27(23,24)21-12-7-6-8-18(22)20-13-11-15-9-10-16(25-4)17(14-15)26-5;1-18(2,3)27(24,25)22-10-5-4-9-17(23)21-11-12-26-13-14-15(19)7-6-8-16(14)20;1-18(2,3)25(23,24)20-12-5-4-8-17(22)21-15-9-10-16-14(13-15)7-6-11-19-16;1-18(2,3)25(23,24)20-11-7-6-10-17(22)21-15-12-14-8-4-5-9-16(14)19-13-15;1-17(2,3)28(23,24)18-9-7-6-8-12(20)19-11-10-27-14(16(22)26-5)13(11)15(21)25-4;1-16(2,3)25(22,23)17-9-5-4-8-15(21)18-14-11-12(19-20-14)13-7-6-10-24-13;1-16(2,3)24(21,22)18-9-5-4-7-15(20)17-8-6-10-19-11-13-23-14-12-19/h4-5,8-12,15,23H,6-7,13-14H2,1-3H3,(H,24,25,26);4-7,10-13,23H,8-9,14-15H2,1-3H3,(H,24,25,26);5-7,10-11,13-14,22H,8-9,12,15H2,1-4H3,(H,23,25);6-7,9-11,13,24H,4-5,8,12H2,1-3H3,(H,25,26);6-8,11-12,21H,5,9-10,13-16H2,1-4H3,(H,20,23);9-10,14,21H,6-8,11-13H2,1-5H3,(H,20,22);6-8,22H,4-5,9-13H2,1-3H3,(H,21,23);6-7,9-11,13,20H,4-5,8,12H2,1-3H3,(H,21,22);4-5,8-9,12-13,20H,6-7,10-11H2,1-3H3,(H,21,22);10,18H,6-9H2,1-5H3,(H,19,20);6-7,10-11,17H,4-5,8-9H2,1-3H3,(H2,18,19,20,21);18H,4-14H2,1-3H3,(H,17,20)
InChIKeyRKRGNFXBJYUXKE-UHFFFAOYSA-N
MW4885.32 g/mol
LogP37.53
Rot. Bonds108

About N-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate

N-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate (PubChem CID 160653098) has the molecular formula C226H334Cl2F2N34O46S16 and a molecular weight of 4885.32 g/mol. Its IUPAC name is N-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate.

Molecular Properties

Compound NameN-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate
PubChem CID160653098
Molecular FormulaC226H334Cl2F2N34O46S16
Molecular Weight4885.32 g/mol
Exact Mass4879.97
IUPAC NameN-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)NCCCN1CCOCC1.CC(C)(C)S(=O)(=O)NCCCCC(=O)NCCSCc1c(Cl)cccc1Cl.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1c2ccccc2nc2ccccc12.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cc(-c2ccco2)[nH]n1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ncccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccnc1Oc1ccc(F)cc1F.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cnc2ccccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1nc(-c2cccc3ccccc23)cs1.CCN(CCNC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1ccccc1.COC(=O)c1scc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1C(=O)OC.COc1ccc(CCNC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1OC.COc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c(Sc2ccccc2)n1
InChIInChI=1S/C22H27N3O3S2.C22H27N3O3S.C21H29N3O4S2.C20H25F2N3O4S.C19H33N3O3S.C19H32N2O5S.C18H28Cl2N2O3S2.2C18H25N3O3S.C17H26N2O7S2.C16H24N4O4S.C16H33N3O4S/c1-22(2,3)30(27,28)23-14-7-6-13-20(26)25-21-24-19(15-29-21)18-12-8-10-16-9-4-5-11-17(16)18;1-22(2,3)29(27,28)23-15-9-8-14-20(26)25-21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21;1-21(2,3)30(26,27)22-15-9-8-12-18(25)23-17-13-14-19(28-4)24-20(17)29-16-10-6-5-7-11-16;1-20(2,3)30(27,28)24-12-5-4-8-18(26)25-16-7-6-11-23-19(16)29-17-10-9-14(21)13-15(17)22;1-5-22(17-11-7-6-8-12-17)16-15-20-18(23)13-9-10-14-21-26(24,25)19(2,3)4;1-19(2,3)27(23,24)21-12-7-6-8-18(22)20-13-11-15-9-10-16(25-4)17(14-15)26-5;1-18(2,3)27(24,25)22-10-5-4-9-17(23)21-11-12-26-13-14-15(19)7-6-8-16(14)20;1-18(2,3)25(23,24)20-12-5-4-8-17(22)21-15-9-10-16-14(13-15)7-6-11-19-16;1-18(2,3)25(23,24)20-11-7-6-10-17(22)21-15-12-14-8-4-5-9-16(14)19-13-15;1-17(2,3)28(23,24)18-9-7-6-8-12(20)19-11-10-27-14(16(22)26-5)13(11)15(21)25-4;1-16(2,3)25(22,23)17-9-5-4-8-15(21)18-14-11-12(19-20-14)13-7-6-10-24-13;1-16(2,3)24(21,22)18-9-5-4-7-15(20)17-8-6-10-19-11-13-23-14-12-19/h4-5,8-12,15,23H,6-7,13-14H2,1-3H3,(H,24,25,26);4-7,10-13,23H,8-9,14-15H2,1-3H3,(H,24,25,26);5-7,10-11,13-14,22H,8-9,12,15H2,1-4H3,(H,23,25);6-7,9-11,13,24H,4-5,8,12H2,1-3H3,(H,25,26);6-8,11-12,21H,5,9-10,13-16H2,1-4H3,(H,20,23);9-10,14,21H,6-8,11-13H2,1-5H3,(H,20,22);6-8,22H,4-5,9-13H2,1-3H3,(H,21,23);6-7,9-11,13,20H,4-5,8,12H2,1-3H3,(H,21,22);4-5,8-9,12-13,20H,6-7,10-11H2,1-3H3,(H,21,22);10,18H,6-9H2,1-5H3,(H,19,20);6-7,10-11,17H,4-5,8-9H2,1-3H3,(H2,18,19,20,21);18H,4-14H2,1-3H3,(H,17,20)
InChIKeyRKRGNFXBJYUXKE-UHFFFAOYSA-N
XLogP37.53
TPSA1127.63 Ų
H-Bond Donors25
H-Bond Acceptors59
Rotatable Bonds108
Heavy Atoms326
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004885.32
LogP ≤ 537.53
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1059

Analyze N-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate?
The IUPAC name of N-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate (CID 160653098) is N-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate.
What is the SMILES notation for N-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate?
The canonical SMILES for N-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate is CC(C)(C)S(=O)(=O)NCCCCC(=O)NCCCN1CCOCC1.CC(C)(C)S(=O)(=O)NCCCCC(=O)NCCSCc1c(Cl)cccc1Cl.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1c2ccccc2nc2ccccc12.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cc(-c2ccco2)[nH]n1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ncccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccnc1Oc1ccc(F)cc1F.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cnc2ccccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1nc(-c2cccc3ccccc23)cs1.CCN(CCNC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1ccccc1.COC(=O)c1scc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1C(=O)OC.COc1ccc(CCNC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1OC.COc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c(Sc2ccccc2)n1.
What is the InChIKey of N-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate?
The InChIKey is RKRGNFXBJYUXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S2.C22H27N3O3S.C21H29N3O4S2.C20H25F2N3O4S.C19H33N3O3S.C19H32N2O5S.C18H28Cl2N2O3S2.2C18H25N3O3S.C17H26N2O7S2.C16H24N4O4S.C16H33N3O4S/c1-22(2,3)30(27,28)23-14-7-6-13-20(26)25-21-24-19(15-29-21)18-12-8-10-16-9-4-5-11-17(16)18;1-22(2,3)29(27,28)23-15-9-8-14-20(26)25-21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21;1-21(2,3)30(26,27)22-15-9-8-12-18(25)23-17-13-14-19(28-4)24-20(17)29-16-10-6-5-7-11-16;1-20(2,3)30(27,28)24-12-5-4-8-18(26)25-16-7-6-11-23-19(16)29-17-10-9-14(21)13-15(17)22;1-5-22(17-11-7-6-8-12-17)16-15-20-18(23)13-9-10-14-21-26(24,25)19(2,3)4;1-19(2,3)27(23,24)21-12-7-6-8-18(22)20-13-11-15-9-10-16(25-4)17(14-15)26-5;1-18(2,3)27(24,25)22-10-5-4-9-17(23)21-11-12-26-13-14-15(19)7-6-8-16(14)20;1-18(2,3)25(23,24)20-12-5-4-8-17(22)21-15-9-10-16-14(13-15)7-6-11-19-16;1-18(2,3)25(23,24)20-11-7-6-10-17(22)21-15-12-14-8-4-5-9-16(14)19-13-15;1-17(2,3)28(23,24)18-9-7-6-8-12(20)19-11-10-27-14(16(22)26-5)13(11)15(21)25-4;1-16(2,3)25(22,23)17-9-5-4-8-15(21)18-14-11-12(19-20-14)13-7-6-10-24-13;1-16(2,3)24(21,22)18-9-5-4-7-15(20)17-8-6-10-19-11-13-23-14-12-19/h4-5,8-12,15,23H,6-7,13-14H2,1-3H3,(H,24,25,26);4-7,10-13,23H,8-9,14-15H2,1-3H3,(H,24,25,26);5-7,10-11,13-14,22H,8-9,12,15H2,1-4H3,(H,23,25);6-7,9-11,13,24H,4-5,8,12H2,1-3H3,(H,25,26);6-8,11-12,21H,5,9-10,13-16H2,1-4H3,(H,20,23);9-10,14,21H,6-8,11-13H2,1-5H3,(H,20,22);6-8,22H,4-5,9-13H2,1-3H3,(H,21,23);6-7,9-11,13,20H,4-5,8,12H2,1-3H3,(H,21,22);4-5,8-9,12-13,20H,6-7,10-11H2,1-3H3,(H,21,22);10,18H,6-9H2,1-5H3,(H,19,20);6-7,10-11,17H,4-5,8-9H2,1-3H3,(H2,18,19,20,21);18H,4-14H2,1-3H3,(H,17,20).
What are the key properties of N-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate?
N-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate has a molecular weight of 4885.32 g/mol, XLogP of 37.53, 108 rotatable bonds, 25 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for N-acridin-9-yl-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(2,4-difluorophenoxy)-3-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(N-ethylanilino)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]pentanamide;5-(tert-butylsulfonylamino)-N-(6-methoxy-2-phenylsulfanyl-3-pyridinyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylpropyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-quinolin-3-ylpentanamide;5-(tert-butylsulfonylamino)-N-quinolin-6-ylpentanamide;dimethyl 4-[5-(tert-butylsulfonylamino)pentanoylamino]thiophene-2,3-dicarboxylate is sourced from PubChem (CID 160653098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).