4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide

C28H28N4O5S — CID 70352221

IUPAC4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cn1nc(N)c2ccc(C(=O)C3CCCC3)cc21
InChIInChI=1S/C28H28N4O5S/c1-37-25-16-20(28(34)31-38(35,36)22-9-3-2-4-10-22)11-12-21(25)17-32-24-15-19(13-14-23(24)27(29)30-32)26(33)18-7-5-6-8-18/h2-4,9-16,18H,5-8,17H2,1H3,(H2,29,30)(H,31,34)
InChIKeyJWGNEKYMHIAIIR-UHFFFAOYSA-N
MW532.62 g/mol
LogP4.17
Rot. Bonds8

About 4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide

4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide (PubChem CID 70352221) has the molecular formula C28H28N4O5S and a molecular weight of 532.62 g/mol. Its IUPAC name is 4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide
PubChem CID70352221
Molecular FormulaC28H28N4O5S
Molecular Weight532.62 g/mol
Exact Mass532.18
IUPAC Name4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cn1nc(N)c2ccc(C(=O)C3CCCC3)cc21
InChIInChI=1S/C28H28N4O5S/c1-37-25-16-20(28(34)31-38(35,36)22-9-3-2-4-10-22)11-12-21(25)17-32-24-15-19(13-14-23(24)27(29)30-32)26(33)18-7-5-6-8-18/h2-4,9-16,18H,5-8,17H2,1H3,(H2,29,30)(H,31,34)
InChIKeyJWGNEKYMHIAIIR-UHFFFAOYSA-N
XLogP4.17
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.62
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzenesulfonyl)-4-[[6-[(2-cyclopentylacetyl)amino]-3-[3-(methylamino)-3-oxopropyl]indol-1-yl]methyl]-3-methoxybenzamide
CID 15013744
N-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide
CID 22388440
butyl N-[1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indazol-6-yl]carbamate
CID 14753015
cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methoxy]phenyl]carbamate
CID 14763140
N-(benzenesulfonyl)-4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]benzamide
CID 19707450
4-[[2,3-bis(3-oxo-3-pyrrolidin-1-ylpropyl)indol-1-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide
CID 70374519
methyl 2-(benzenesulfonyl)-3-[4-[[6-(cyclopentyloxycarbonylamino)indazol-1-yl]methyl]-3-methoxyphenyl]-3-oxopropanoate
CID 14753018
N-(2-chlorophenyl)sulfonyl-4-[[5-(cyclopentylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide
CID 14626865
3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide
CID 91328901
(1-deuteriocyclopentyl) N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
CID 25192646
4-[[3,6-bis[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]indol-1-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide
CID 14882549
3-(cyclopentylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 46581452

Frequently Asked Questions

What is the IUPAC name of 4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide?
The IUPAC name of 4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide (CID 70352221) is 4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide.
What is the SMILES notation for 4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide?
The canonical SMILES for 4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide is COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cn1nc(N)c2ccc(C(=O)C3CCCC3)cc21.
What is the InChIKey of 4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide?
The InChIKey is JWGNEKYMHIAIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O5S/c1-37-25-16-20(28(34)31-38(35,36)22-9-3-2-4-10-22)11-12-21(25)17-32-24-15-19(13-14-23(24)27(29)30-32)26(33)18-7-5-6-8-18/h2-4,9-16,18H,5-8,17H2,1H3,(H2,29,30)(H,31,34).
What are the key properties of 4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide?
4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide has a molecular weight of 532.62 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide is sourced from PubChem (CID 70352221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).