N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide

C127H177N25O22S8 — CID 157194413

IUPACN-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2csnn2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2ccc3ccccc32)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2cccn2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCC[C@H]2C(N)=O)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCc3ccccc32)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ccc2c1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C22H29N3O3S.C22H27N3O3S.C19H30N4O4S.C17H24N4O3S.C16H22N4O3S2.C16H23N3O3S.C15H22N4O3S/c2*1-17(2)29(27,28)23-15-6-5-9-22(26)24-19-10-12-20(13-11-19)25-16-14-18-7-3-4-8-21(18)25;1-14(2)28(26,27)21-12-4-3-7-18(24)22-15-8-10-16(11-9-15)23-13-5-6-17(23)19(20)25;1-14(2)25(23,24)19-12-4-3-6-17(22)20-15-7-9-16(10-8-15)21-13-5-11-18-21;1-12(2)25(22,23)17-10-4-3-5-16(21)18-14-8-6-13(7-9-14)15-11-24-20-19-15;1-12(2)23(21,22)18-9-4-3-5-16(20)19-14-6-7-15-13(11-14)8-10-17-15;1-11(2)23(21,22)17-8-4-3-5-15(20)18-13-6-7-14-12(9-13)10-16-19-14/h3-4,7-8,10-13,17,23H,5-6,9,14-16H2,1-2H3,(H,24,26);3-4,7-8,10-14,16-17,23H,5-6,9,15H2,1-2H3,(H,24,26);8-11,14,17,21H,3-7,12-13H2,1-2H3,(H2,20,25)(H,22,24);5,7-11,13-14,19H,3-4,6,12H2,1-2H3,(H,20,22);6-9,11-12,17H,3-5,10H2,1-2H3,(H,18,21);6-8,10-12,17-18H,3-5,9H2,1-2H3,(H,19,20);6-7,9-11,17H,3-5,8H2,1-2H3,(H,16,19)(H,18,20)/t;;17-;;;;/m..0..../s1
InChIKeyAQBQDJQFHQGZKG-OYWNKGDXSA-N
MW2662.50 g/mol
LogP19.02
Rot. Bonds62

About N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide

N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide (PubChem CID 157194413) has the molecular formula C127H177N25O22S8 and a molecular weight of 2662.50 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide
PubChem CID157194413
Molecular FormulaC127H177N25O22S8
Molecular Weight2662.50 g/mol
Exact Mass2660.13
IUPAC NameN-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide
SMILESCC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2csnn2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2ccc3ccccc32)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2cccn2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCC[C@H]2C(N)=O)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCc3ccccc32)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ccc2c1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C22H29N3O3S.C22H27N3O3S.C19H30N4O4S.C17H24N4O3S.C16H22N4O3S2.C16H23N3O3S.C15H22N4O3S/c2*1-17(2)29(27,28)23-15-6-5-9-22(26)24-19-10-12-20(13-11-19)25-16-14-18-7-3-4-8-21(18)25;1-14(2)28(26,27)21-12-4-3-7-18(24)22-15-8-10-16(11-9-15)23-13-5-6-17(23)19(20)25;1-14(2)25(23,24)19-12-4-3-6-17(22)20-15-7-9-16(10-8-15)21-13-5-11-18-21;1-12(2)25(22,23)17-10-4-3-5-16(21)18-14-8-6-13(7-9-14)15-11-24-20-19-15;1-12(2)23(21,22)18-9-4-3-5-16(20)19-14-6-7-15-13(11-14)8-10-17-15;1-11(2)23(21,22)17-8-4-3-5-15(20)18-13-6-7-14-12(9-13)10-16-19-14/h3-4,7-8,10-13,17,23H,5-6,9,14-16H2,1-2H3,(H,24,26);3-4,7-8,10-14,16-17,23H,5-6,9,15H2,1-2H3,(H,24,26);8-11,14,17,21H,3-7,12-13H2,1-2H3,(H2,20,25)(H,22,24);5,7-11,13-14,19H,3-4,6,12H2,1-2H3,(H,20,22);6-9,11-12,17H,3-5,10H2,1-2H3,(H,18,21);6-8,10-12,17-18H,3-5,9H2,1-2H3,(H,19,20);6-7,9-11,17H,3-5,8H2,1-2H3,(H,16,19)(H,18,20)/t;;17-;;;;/m..0..../s1
InChIKeyAQBQDJQFHQGZKG-OYWNKGDXSA-N
XLogP19.02
TPSA669.46 Ų
H-Bond Donors17
H-Bond Acceptors31
Rotatable Bonds62
Heavy Atoms182
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002662.50
LogP ≤ 519.02
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide (CID 157194413) is N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide is CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2csnn2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2ccc3ccccc32)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2cccn2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCC[C@H]2C(N)=O)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCc3ccccc32)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ccc2c1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide?
The InChIKey is AQBQDJQFHQGZKG-OYWNKGDXSA-N. The full InChI is InChI=1S/C22H29N3O3S.C22H27N3O3S.C19H30N4O4S.C17H24N4O3S.C16H22N4O3S2.C16H23N3O3S.C15H22N4O3S/c2*1-17(2)29(27,28)23-15-6-5-9-22(26)24-19-10-12-20(13-11-19)25-16-14-18-7-3-4-8-21(18)25;1-14(2)28(26,27)21-12-4-3-7-18(24)22-15-8-10-16(11-9-15)23-13-5-6-17(23)19(20)25;1-14(2)25(23,24)19-12-4-3-6-17(22)20-15-7-9-16(10-8-15)21-13-5-11-18-21;1-12(2)25(22,23)17-10-4-3-5-16(21)18-14-8-6-13(7-9-14)15-11-24-20-19-15;1-12(2)23(21,22)18-9-4-3-5-16(20)19-14-6-7-15-13(11-14)8-10-17-15;1-11(2)23(21,22)17-8-4-3-5-15(20)18-13-6-7-14-12(9-13)10-16-19-14/h3-4,7-8,10-13,17,23H,5-6,9,14-16H2,1-2H3,(H,24,26);3-4,7-8,10-14,16-17,23H,5-6,9,15H2,1-2H3,(H,24,26);8-11,14,17,21H,3-7,12-13H2,1-2H3,(H2,20,25)(H,22,24);5,7-11,13-14,19H,3-4,6,12H2,1-2H3,(H,20,22);6-9,11-12,17H,3-5,10H2,1-2H3,(H,18,21);6-8,10-12,17-18H,3-5,9H2,1-2H3,(H,19,20);6-7,9-11,17H,3-5,8H2,1-2H3,(H,16,19)(H,18,20)/t;;17-;;;;/m..0..../s1.
What are the key properties of N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide?
N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide has a molecular weight of 2662.50 g/mol, XLogP of 19.02, 62 rotatable bonds, 17 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-indol-1-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1H-indol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;(2S)-1-[4-[5-(propan-2-ylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(propan-2-ylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(propan-2-ylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide is sourced from PubChem (CID 157194413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).