N-(3-acetyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(benzenesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(methanesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-methyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(5-phenylpyrazin-2-yl)-5-(propan-2-ylsulfonylamino)pentanamide

C133H183ClN20O33S9 — CID 157245386

About N-(3-acetyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(benzenesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(methanesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-methyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(5-phenylpyrazin-2-yl)-5-(propan-2-ylsulfonylamino)pentanamide

N-(3-acetyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(benzenesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(methanesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-methyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(5-phenylpyrazin-2-yl)-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 157245386) has the molecular formula C133H183ClN20O33S9 and a molecular weight of 2914.09 g/mol. Its IUPAC name is N-(3-acetyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(benzenesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(methanesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-methyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(5-phenylpyrazin-2-yl)-5-(propan-2-ylsulfonylamino)pentanamide.

Molecular Properties

• Compound Name: N-(3-acetyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(benzenesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(methanesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-methyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(5-phenylpyrazin-2-yl)-5-(propan-2-ylsulfonylamino)pentanamide
• PubChem CID: 157245386
• Molecular Formula: C133H183ClN20O33S9
• Molecular Weight: 2914.09 g/mol
• Exact Mass: 2911.04
• IUPAC Name: N-(3-acetyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(benzenesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(methanesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-methyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(5-phenylpyrazin-2-yl)-5-(propan-2-ylsulfonylamino)pentanamide
• SMILES: CC(=O)c1cc2cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc2oc1=O.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(NS(C)(=O)=O)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O.CC(C)S(=O)(=O)NCCCCC(=O)Nc1cnc(-c2ccccc2)cn1.Cc1cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1NC(=O)CCCCNS(=O)(=O)C(C)C.Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc2ccc(=O)oc12
• InChI: InChI=1S/C26H36ClN3O4S.C20H27N3O5S2.C19H24N2O6S.C18H24N4O3S.C18H24N2O5S.C17H23N3O5S.C15H25N3O5S2/c1-19(2)35(33,34)28-15-5-4-6-25(31)29-24-12-11-23(18-20(24)3)30-16-13-26(32,14-17-30)21-7-9-22(27)10-8-21;1-16(2)29(25,26)21-15-7-6-10-20(24)22-17-11-13-18(14-12-17)23-30(27,28)19-8-4-3-5-9-19;1-12(2)28(25,26)20-9-5-4-6-18(23)21-15-7-8-17-14(10-15)11-16(13(3)22)19(24)27-17;1-14(2)26(24,25)21-11-7-6-10-18(23)22-17-13-19-16(12-20-17)15-8-4-3-5-9-15;1-12(2)26(23,24)19-9-5-4-6-16(21)20-15-10-13(3)18-14(11-15)7-8-17(22)25-18;1-11(2)26(24,25)18-9-5-4-6-15(21)19-12-7-8-13-14(10-12)17(23)20(3)16(13)22;1-12(2)25(22,23)16-11-5-4-6-15(19)17-13-7-9-14(10-8-13)18-24(3,20)21/h7-12,18-19,28,32H,4-6,13-17H2,1-3H3,(H,29,31);3-5,8-9,11-14,16,21,23H,6-7,10,15H2,1-2H3,(H,22,24);7-8,10-12,20H,4-6,9H2,1-3H3,(H,21,23);3-5,8-9,12-14,21H,6-7,10-11H2,1-2H3,(H,20,22,23);7-8,10-12,19H,4-6,9H2,1-3H3,(H,20,21);7-8,10-11,18H,4-6,9H2,1-3H3,(H,19,21);7-10,12,16,18H,4-6,11H2,1-3H3,(H,17,19)
• InChIKey: AVRUXVDHYUGQII-UHFFFAOYSA-N
• XLogP: 17.89
• TPSA: 783.35 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 36
• Rotatable Bonds: 65
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2914.09
LogP ≤ 5	17.89
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	36

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': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(benzenesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(methanesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-methyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(5-phenylpyrazin-2-yl)-5-(propan-2-ylsulfonylamino)pentanamide?

The IUPAC name of N-(3-acetyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(benzenesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(methanesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-methyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(5-phenylpyrazin-2-yl)-5-(propan-2-ylsulfonylamino)pentanamide (CID 157245386) is N-(3-acetyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(benzenesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(methanesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-methyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(5-phenylpyrazin-2-yl)-5-(propan-2-ylsulfonylamino)pentanamide.

What is the SMILES notation for N-(3-acetyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(benzenesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(methanesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-methyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(5-phenylpyrazin-2-yl)-5-(propan-2-ylsulfonylamino)pentanamide?

The canonical SMILES for N-(3-acetyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(benzenesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(methanesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-methyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(5-phenylpyrazin-2-yl)-5-(propan-2-ylsulfonylamino)pentanamide is CC(=O)c1cc2cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc2oc1=O.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(NS(C)(=O)=O)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O.CC(C)S(=O)(=O)NCCCCC(=O)Nc1cnc(-c2ccccc2)cn1.Cc1cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1NC(=O)CCCCNS(=O)(=O)C(C)C.Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc2ccc(=O)oc12.

What is the InChIKey of N-(3-acetyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(benzenesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(methanesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-methyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(5-phenylpyrazin-2-yl)-5-(propan-2-ylsulfonylamino)pentanamide?

The InChIKey is AVRUXVDHYUGQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClN3O4S.C20H27N3O5S2.C19H24N2O6S.C18H24N4O3S.C18H24N2O5S.C17H23N3O5S.C15H25N3O5S2/c1-19(2)35(33,34)28-15-5-4-6-25(31)29-24-12-11-23(18-20(24)3)30-16-13-26(32,14-17-30)21-7-9-22(27)10-8-21;1-16(2)29(25,26)21-15-7-6-10-20(24)22-17-11-13-18(14-12-17)23-30(27,28)19-8-4-3-5-9-19;1-12(2)28(25,26)20-9-5-4-6-18(23)21-15-7-8-17-14(10-15)11-16(13(3)22)19(24)27-17;1-14(2)26(24,25)21-11-7-6-10-18(23)22-17-13-19-16(12-20-17)15-8-4-3-5-9-15;1-12(2)26(23,24)19-9-5-4-6-16(21)20-15-10-13(3)18-14(11-15)7-8-17(22)25-18;1-11(2)26(24,25)18-9-5-4-6-15(21)19-12-7-8-13-14(10-12)17(23)20(3)16(13)22;1-12(2)25(22,23)16-11-5-4-6-15(19)17-13-7-9-14(10-8-13)18-24(3,20)21/h7-12,18-19,28,32H,4-6,13-17H2,1-3H3,(H,29,31);3-5,8-9,11-14,16,21,23H,6-7,10,15H2,1-2H3,(H,22,24);7-8,10-12,20H,4-6,9H2,1-3H3,(H,21,23);3-5,8-9,12-14,21H,6-7,10-11H2,1-2H3,(H,20,22,23);7-8,10-12,19H,4-6,9H2,1-3H3,(H,20,21);7-8,10-11,18H,4-6,9H2,1-3H3,(H,19,21);7-10,12,16,18H,4-6,11H2,1-3H3,(H,17,19).

What are the key properties of N-(3-acetyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(benzenesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(methanesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-methyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(5-phenylpyrazin-2-yl)-5-(propan-2-ylsulfonylamino)pentanamide?

N-(3-acetyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(benzenesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(methanesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-methyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(5-phenylpyrazin-2-yl)-5-(propan-2-ylsulfonylamino)pentanamide has a molecular weight of 2914.09 g/mol, XLogP of 17.89, 65 rotatable bonds, 17 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(benzenesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(methanesulfonamido)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-methyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(5-phenylpyrazin-2-yl)-5-(propan-2-ylsulfonylamino)pentanamide is sourced from PubChem (CID 157245386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).