N-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide

C134H202ClN21O25S7 — CID 158857019

IUPACN-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCCCC2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCOCC2)cc1.CCN(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1.CCN(CC)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1.CCn1c2ccccc2c2cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc21.Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc1N1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C23H26ClN3O5S.C22H29N3O3S.C19H31N3O3S.C18H29N3O4S.C18H31N3O3S.C17H27N3O4S.C17H29N3O3S/c1-14(2)33(31,32)25-11-5-4-6-21(28)26-17-8-10-20(15(3)12-17)27-22(29)18-9-7-16(24)13-19(18)23(27)30;1-4-25-20-10-6-5-9-18(20)19-15-17(12-13-21(19)25)24-22(26)11-7-8-14-23-29(27,28)16(2)3;1-16(2)26(24,25)20-13-5-4-8-19(23)21-17-9-11-18(12-10-17)22-14-6-3-7-15-22;1-15(2)26(23,24)19-10-4-3-5-18(22)20-16-6-8-17(9-7-16)21-11-13-25-14-12-21;1-5-21(6-2)17-12-10-16(11-13-17)20-18(22)9-7-8-14-19-25(23,24)15(3)4;1-13(2)25(23,24)18-12-6-5-7-17(22)19-15-8-10-16(11-9-15)20(4)14(3)21;1-5-20(4)16-11-9-15(10-12-16)19-17(21)8-6-7-13-18-24(22,23)14(2)3/h7-10,12-14,25H,4-6,11H2,1-3H3,(H,26,28);5-6,9-10,12-13,15-16,23H,4,7-8,11,14H2,1-3H3,(H,24,26);9-12,16,20H,3-8,13-15H2,1-2H3,(H,21,23);6-9,15,19H,3-5,10-14H2,1-2H3,(H,20,22);10-13,15,19H,5-9,14H2,1-4H3,(H,20,22);8-11,13,18H,5-7,12H2,1-4H3,(H,19,22);9-12,14,18H,5-8,13H2,1-4H3,(H,19,21)
InChIKeyJAEKQXJWZRRDSS-UHFFFAOYSA-N
MW2767.13 g/mol
LogP20.86
Rot. Bonds66

About N-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide

N-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 158857019) has the molecular formula C134H202ClN21O25S7 and a molecular weight of 2767.13 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide
PubChem CID158857019
Molecular FormulaC134H202ClN21O25S7
Molecular Weight2767.13 g/mol
Exact Mass2764.29
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCCCC2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCOCC2)cc1.CCN(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1.CCN(CC)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1.CCn1c2ccccc2c2cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc21.Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc1N1C(=O)c2ccc(Cl)cc2C1=O
InChIInChI=1S/C23H26ClN3O5S.C22H29N3O3S.C19H31N3O3S.C18H29N3O4S.C18H31N3O3S.C17H27N3O4S.C17H29N3O3S/c1-14(2)33(31,32)25-11-5-4-6-21(28)26-17-8-10-20(15(3)12-17)27-22(29)18-9-7-16(24)13-19(18)23(27)30;1-4-25-20-10-6-5-9-18(20)19-15-17(12-13-21(19)25)24-22(26)11-7-8-14-23-29(27,28)16(2)3;1-16(2)26(24,25)20-13-5-4-8-19(23)21-17-9-11-18(12-10-17)22-14-6-3-7-15-22;1-15(2)26(23,24)19-10-4-3-5-18(22)20-16-6-8-17(9-7-16)21-11-13-25-14-12-21;1-5-21(6-2)17-12-10-16(11-13-17)20-18(22)9-7-8-14-19-25(23,24)15(3)4;1-13(2)25(23,24)18-12-6-5-7-17(22)19-15-8-10-16(11-9-15)20(4)14(3)21;1-5-20(4)16-11-9-15(10-12-16)19-17(21)8-6-7-13-18-24(22,23)14(2)3/h7-10,12-14,25H,4-6,11H2,1-3H3,(H,26,28);5-6,9-10,12-13,15-16,23H,4,7-8,11,14H2,1-3H3,(H,24,26);9-12,16,20H,3-8,13-15H2,1-2H3,(H,21,23);6-9,15,19H,3-5,10-14H2,1-2H3,(H,20,22);10-13,15,19H,5-9,14H2,1-4H3,(H,20,22);8-11,13,18H,5-7,12H2,1-4H3,(H,19,22);9-12,14,18H,5-8,13H2,1-4H3,(H,19,21)
InChIKeyJAEKQXJWZRRDSS-UHFFFAOYSA-N
XLogP20.86
TPSA611.70 Ų
H-Bond Donors14
H-Bond Acceptors30
Rotatable Bonds66
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002767.13
LogP ≤ 520.86
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide (CID 158857019) is N-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide is CC(=O)N(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCCCC2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCOCC2)cc1.CCN(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1.CCN(CC)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1.CCn1c2ccccc2c2cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc21.Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc1N1C(=O)c2ccc(Cl)cc2C1=O.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide?
The InChIKey is JAEKQXJWZRRDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O5S.C22H29N3O3S.C19H31N3O3S.C18H29N3O4S.C18H31N3O3S.C17H27N3O4S.C17H29N3O3S/c1-14(2)33(31,32)25-11-5-4-6-21(28)26-17-8-10-20(15(3)12-17)27-22(29)18-9-7-16(24)13-19(18)23(27)30;1-4-25-20-10-6-5-9-18(20)19-15-17(12-13-21(19)25)24-22(26)11-7-8-14-23-29(27,28)16(2)3;1-16(2)26(24,25)20-13-5-4-8-19(23)21-17-9-11-18(12-10-17)22-14-6-3-7-15-22;1-15(2)26(23,24)19-10-4-3-5-18(22)20-16-6-8-17(9-7-16)21-11-13-25-14-12-21;1-5-21(6-2)17-12-10-16(11-13-17)20-18(22)9-7-8-14-19-25(23,24)15(3)4;1-13(2)25(23,24)18-12-6-5-7-17(22)19-15-8-10-16(11-9-15)20(4)14(3)21;1-5-20(4)16-11-9-15(10-12-16)19-17(21)8-6-7-13-18-24(22,23)14(2)3/h7-10,12-14,25H,4-6,11H2,1-3H3,(H,26,28);5-6,9-10,12-13,15-16,23H,4,7-8,11,14H2,1-3H3,(H,24,26);9-12,16,20H,3-8,13-15H2,1-2H3,(H,21,23);6-9,15,19H,3-5,10-14H2,1-2H3,(H,20,22);10-13,15,19H,5-9,14H2,1-4H3,(H,20,22);8-11,13,18H,5-7,12H2,1-4H3,(H,19,22);9-12,14,18H,5-8,13H2,1-4H3,(H,19,21).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide?
N-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 2767.13 g/mol, XLogP of 20.86, 66 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(diethylamino)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(9-ethylcarbazol-3-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[ethyl(methyl)amino]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 158857019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).