N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide

C107H158N18O17S5 — CID 159084040

About N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide

N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide (PubChem CID 159084040) has the molecular formula C107H158N18O17S5 and a molecular weight of 2128.88 g/mol. Its IUPAC name is N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide.

Molecular Properties

• Compound Name: N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide
• PubChem CID: 159084040
• Molecular Formula: C107H158N18O17S5
• Molecular Weight: 2128.88 g/mol
• Exact Mass: 2127.07
• IUPAC Name: N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide
• SMILES: CC(C)(C)OC(=O)NC1CCN(c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2)C1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2ccc3ccccc32)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2cccn2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCC(N)C2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCc3ccccc32)cc1
• InChI: InChI=1S/C24H40N4O5S.C23H31N3O3S.C23H29N3O3S.C19H32N4O3S.C18H26N4O3S/c1-23(2,3)33-22(30)27-19-14-16-28(17-19)20-12-10-18(11-13-20)26-21(29)9-7-8-15-25-34(31,32)24(4,5)6;2*1-23(2,3)30(28,29)24-16-7-6-10-22(27)25-19-11-13-20(14-12-19)26-17-15-18-8-4-5-9-21(18)26;1-19(2,3)27(25,26)21-12-5-4-6-18(24)22-16-7-9-17(10-8-16)23-13-11-15(20)14-23;1-18(2,3)26(24,25)20-13-5-4-7-17(23)21-15-8-10-16(11-9-15)22-14-6-12-19-22/h10-13,19,25H,7-9,14-17H2,1-6H3,(H,26,29)(H,27,30);4-5,8-9,11-14,24H,6-7,10,15-17H2,1-3H3,(H,25,27);4-5,8-9,11-15,17,24H,6-7,10,16H2,1-3H3,(H,25,27);7-10,15,21H,4-6,11-14,20H2,1-3H3,(H,22,24);6,8-12,14,20H,4-5,7,13H2,1-3H3,(H,21,23)
• InChIKey: KBFFKLGDXDUNOH-UHFFFAOYSA-N
• XLogP: 17.03
• TPSA: 473.17 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 41
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2128.88
LogP ≤ 5	17.03
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide?

The IUPAC name of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide (CID 159084040) is N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide.

What is the SMILES notation for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide?

The canonical SMILES for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide is CC(C)(C)OC(=O)NC1CCN(c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2)C1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2ccc3ccccc32)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2cccn2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCC(N)C2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCc3ccccc32)cc1.

What is the InChIKey of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide?

The InChIKey is KBFFKLGDXDUNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O5S.C23H31N3O3S.C23H29N3O3S.C19H32N4O3S.C18H26N4O3S/c1-23(2,3)33-22(30)27-19-14-16-28(17-19)20-12-10-18(11-13-20)26-21(29)9-7-8-15-25-34(31,32)24(4,5)6;2*1-23(2,3)30(28,29)24-16-7-6-10-22(27)25-19-11-13-20(14-12-19)26-17-15-18-8-4-5-9-21(18)26;1-19(2,3)27(25,26)21-12-5-4-6-18(24)22-16-7-9-17(10-8-16)23-13-11-15(20)14-23;1-18(2,3)26(24,25)20-13-5-4-7-17(23)21-15-8-10-16(11-9-15)22-14-6-12-19-22/h10-13,19,25H,7-9,14-17H2,1-6H3,(H,26,29)(H,27,30);4-5,8-9,11-14,24H,6-7,10,15-17H2,1-3H3,(H,25,27);4-5,8-9,11-15,17,24H,6-7,10,16H2,1-3H3,(H,25,27);7-10,15,21H,4-6,11-14,20H2,1-3H3,(H,22,24);6,8-12,14,20H,4-5,7,13H2,1-3H3,(H,21,23).

What are the key properties of N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide?

N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide has a molecular weight of 2128.88 g/mol, XLogP of 17.03, 41 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-aminopyrrolidin-1-yl)phenyl]-5-(tert-butylsulfonylamino)pentanamide;tert-butyl N-[1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidin-3-yl]carbamate;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydroindol-1-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide is sourced from PubChem (CID 159084040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).