N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide

C178H269N27O39S13 — CID 158240303

IUPACN-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(Cc2ccncc2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)OCCO2.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ncsc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ocnc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2sccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(C(N)=O)c1.CC(C)NC(=O)c1cccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1.CC1CCc2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc21.CCCN1C(=O)c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2C1=O
InChIInChI=1S/C21H29N3O3S.C20H29N3O5S.C19H31N3O4S.C19H30N2O3S.C17H29N3O5S2.C17H26N2O5S.C17H24N2O3S2.C16H23N3O4S.C16H25N3O4S.C16H23N3O3S2/c1-21(2,3)28(26,27)23-13-5-4-6-20(25)24-19-9-7-17(8-10-19)16-18-11-14-22-15-12-18;1-5-12-23-18(25)15-10-9-14(13-16(15)19(23)26)22-17(24)8-6-7-11-21-29(27,28)20(2,3)4;1-14(2)21-18(24)15-9-8-10-16(13-15)22-17(23)11-6-7-12-20-27(25,26)19(3,4)5;1-14-8-9-15-10-11-16(13-17(14)15)21-18(22)7-5-6-12-20-25(23,24)19(2,3)4;1-17(2,3)27(24,25)20-12-5-4-6-16(21)19-13-11-14-7-9-15(10-8-14)26(18,22)23;1-17(2,3)25(21,22)18-9-5-4-6-16(20)19-13-7-8-14-15(12-13)24-11-10-23-14;1-17(2,3)24(21,22)18-10-5-4-6-16(20)19-14-7-8-15-13(12-14)9-11-23-15;1-16(2,3)24(21,22)18-9-5-4-6-15(20)19-12-7-8-14-13(10-12)17-11-23-14;1-16(2,3)24(22,23)18-10-5-4-9-14(20)19-13-8-6-7-12(11-13)15(17)21;1-16(2,3)24(21,22)18-9-5-4-6-15(20)19-12-7-8-13-14(10-12)23-11-17-13/h7-12,14-15,23H,4-6,13,16H2,1-3H3,(H,24,25);9-10,13,21H,5-8,11-12H2,1-4H3,(H,22,24);8-10,13-14,20H,6-7,11-12H2,1-5H3,(H,21,24)(H,22,23);10-11,13-14,20H,5-9,12H2,1-4H3,(H,21,22);7-10,20H,4-6,11-13H2,1-3H3,(H,19,21)(H2,18,22,23);7-8,12,18H,4-6,9-11H2,1-3H3,(H,19,20);7-9,11-12,18H,4-6,10H2,1-3H3,(H,19,20);7-8,10-11,18H,4-6,9H2,1-3H3,(H,19,20);6-8,11,18H,4-5,9-10H2,1-3H3,(H2,17,21)(H,19,20);7-8,10-11,18H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyGFLQFBGLHOLWNC-UHFFFAOYSA-N
MW3828.13 g/mol
LogP26.52
Rot. Bonds80

About N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide

N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide (PubChem CID 158240303) has the molecular formula C178H269N27O39S13 and a molecular weight of 3828.13 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
PubChem CID158240303
Molecular FormulaC178H269N27O39S13
Molecular Weight3828.13 g/mol
Exact Mass3824.63
IUPAC NameN-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(Cc2ccncc2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)OCCO2.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ncsc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ocnc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2sccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(C(N)=O)c1.CC(C)NC(=O)c1cccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1.CC1CCc2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc21.CCCN1C(=O)c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2C1=O
InChIInChI=1S/C21H29N3O3S.C20H29N3O5S.C19H31N3O4S.C19H30N2O3S.C17H29N3O5S2.C17H26N2O5S.C17H24N2O3S2.C16H23N3O4S.C16H25N3O4S.C16H23N3O3S2/c1-21(2,3)28(26,27)23-13-5-4-6-20(25)24-19-9-7-17(8-10-19)16-18-11-14-22-15-12-18;1-5-12-23-18(25)15-10-9-14(13-16(15)19(23)26)22-17(24)8-6-7-11-21-29(27,28)20(2,3)4;1-14(2)21-18(24)15-9-8-10-16(13-15)22-17(23)11-6-7-12-20-27(25,26)19(3,4)5;1-14-8-9-15-10-11-16(13-17(14)15)21-18(22)7-5-6-12-20-25(23,24)19(2,3)4;1-17(2,3)27(24,25)20-12-5-4-6-16(21)19-13-11-14-7-9-15(10-8-14)26(18,22)23;1-17(2,3)25(21,22)18-9-5-4-6-16(20)19-13-7-8-14-15(12-13)24-11-10-23-14;1-17(2,3)24(21,22)18-10-5-4-6-16(20)19-14-7-8-15-13(12-14)9-11-23-15;1-16(2,3)24(21,22)18-9-5-4-6-15(20)19-12-7-8-14-13(10-12)17-11-23-14;1-16(2,3)24(22,23)18-10-5-4-9-14(20)19-13-8-6-7-12(11-13)15(17)21;1-16(2,3)24(21,22)18-9-5-4-6-15(20)19-12-7-8-13-14(10-12)23-11-17-13/h7-12,14-15,23H,4-6,13,16H2,1-3H3,(H,24,25);9-10,13,21H,5-8,11-12H2,1-4H3,(H,22,24);8-10,13-14,20H,6-7,11-12H2,1-5H3,(H,21,24)(H,22,23);10-11,13-14,20H,5-9,12H2,1-4H3,(H,21,22);7-10,20H,4-6,11-13H2,1-3H3,(H,19,21)(H2,18,22,23);7-8,12,18H,4-6,9-11H2,1-3H3,(H,19,20);7-9,11-12,18H,4-6,10H2,1-3H3,(H,19,20);7-8,10-11,18H,4-6,9H2,1-3H3,(H,19,20);6-8,11,18H,4-5,9-10H2,1-3H3,(H2,17,21)(H,19,20);7-8,10-11,18H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyGFLQFBGLHOLWNC-UHFFFAOYSA-N
XLogP26.52
TPSA992.70 Ų
H-Bond Donors23
H-Bond Acceptors44
Rotatable Bonds80
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003828.13
LogP ≤ 526.52
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide (CID 158240303) is N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide is CC(C)(C)S(=O)(=O)NCCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(Cc2ccncc2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)OCCO2.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ncsc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ocnc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2sccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(C(N)=O)c1.CC(C)NC(=O)c1cccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1.CC1CCc2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc21.CCCN1C(=O)c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2C1=O.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
The InChIKey is GFLQFBGLHOLWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S.C20H29N3O5S.C19H31N3O4S.C19H30N2O3S.C17H29N3O5S2.C17H26N2O5S.C17H24N2O3S2.C16H23N3O4S.C16H25N3O4S.C16H23N3O3S2/c1-21(2,3)28(26,27)23-13-5-4-6-20(25)24-19-9-7-17(8-10-19)16-18-11-14-22-15-12-18;1-5-12-23-18(25)15-10-9-14(13-16(15)19(23)26)22-17(24)8-6-7-11-21-29(27,28)20(2,3)4;1-14(2)21-18(24)15-9-8-10-16(13-15)22-17(23)11-6-7-12-20-27(25,26)19(3,4)5;1-14-8-9-15-10-11-16(13-17(14)15)21-18(22)7-5-6-12-20-25(23,24)19(2,3)4;1-17(2,3)27(24,25)20-12-5-4-6-16(21)19-13-11-14-7-9-15(10-8-14)26(18,22)23;1-17(2,3)25(21,22)18-9-5-4-6-16(20)19-13-7-8-14-15(12-13)24-11-10-23-14;1-17(2,3)24(21,22)18-10-5-4-6-16(20)19-14-7-8-15-13(12-14)9-11-23-15;1-16(2,3)24(21,22)18-9-5-4-6-15(20)19-12-7-8-14-13(10-12)17-11-23-14;1-16(2,3)24(22,23)18-10-5-4-9-14(20)19-13-8-6-7-12(11-13)15(17)21;1-16(2,3)24(21,22)18-9-5-4-6-15(20)19-12-7-8-13-14(10-12)23-11-17-13/h7-12,14-15,23H,4-6,13,16H2,1-3H3,(H,24,25);9-10,13,21H,5-8,11-12H2,1-4H3,(H,22,24);8-10,13-14,20H,6-7,11-12H2,1-5H3,(H,21,24)(H,22,23);10-11,13-14,20H,5-9,12H2,1-4H3,(H,21,22);7-10,20H,4-6,11-13H2,1-3H3,(H,19,21)(H2,18,22,23);7-8,12,18H,4-6,9-11H2,1-3H3,(H,19,20);7-9,11-12,18H,4-6,10H2,1-3H3,(H,19,20);7-8,10-11,18H,4-6,9H2,1-3H3,(H,19,20);6-8,11,18H,4-5,9-10H2,1-3H3,(H2,17,21)(H,19,20);7-8,10-11,18H,4-6,9H2,1-3H3,(H,19,20).
What are the key properties of N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide?
N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide has a molecular weight of 3828.13 g/mol, XLogP of 26.52, 80 rotatable bonds, 23 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-propylisoindol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]benzamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[4-(pyridin-4-ylmethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide is sourced from PubChem (CID 158240303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).