4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide

C24H20N4O7S — CID 148704936

IUPAC4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cc3c(-c4cccc(NC(C)=O)c4)ccc([N+](=O)[O-])c3[nH]2)cc1
InChIInChI=1S/C24H20N4O7S/c1-14(29)25-16-5-3-4-15(12-16)19-10-11-22(28(31)32)23-20(19)13-21(26-23)24(30)27-36(33,34)18-8-6-17(35-2)7-9-18/h3-13,26H,1-2H3,(H,25,29)(H,27,30)
InChIKeyNWBVAQWYAKYBIW-UHFFFAOYSA-N
MW508.51 g/mol
LogP3.83
Rot. Bonds7

About 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide

4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide (PubChem CID 148704936) has the molecular formula C24H20N4O7S and a molecular weight of 508.51 g/mol. Its IUPAC name is 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide
PubChem CID148704936
Molecular FormulaC24H20N4O7S
Molecular Weight508.51 g/mol
Exact Mass508.11
IUPAC Name4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cc3c(-c4cccc(NC(C)=O)c4)ccc([N+](=O)[O-])c3[nH]2)cc1
InChIInChI=1S/C24H20N4O7S/c1-14(29)25-16-5-3-4-15(12-16)19-10-11-22(28(31)32)23-20(19)13-21(26-23)24(30)27-36(33,34)18-8-6-17(35-2)7-9-18/h3-13,26H,1-2H3,(H,25,29)(H,27,30)
InChIKeyNWBVAQWYAKYBIW-UHFFFAOYSA-N
XLogP3.83
TPSA160.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.51
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide 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

4-(2-methoxyethylamino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide
CID 141488592
4-(4-cyanoanilino)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide
CID 141488770
4-(3-methoxyanilino)-7-nitro-N-[4-(trifluoromethyl)phenyl]sulfonyl-1H-indole-2-carboxamide
CID 141488696
N-(4-methoxyphenyl)sulfonyl-4-[3-methoxy-5-(trifluoromethyl)anilino]-7-nitro-1H-indole-2-carboxamide
CID 141488537
N-(4-methoxyphenyl)sulfonyl-3-nitrobenzamide
CID 22007146
6-chloro-4-(3-methoxyanilino)-N-(4-methoxyphenyl)sulfonyl-1H-indole-2-carboxamide
CID 141488775
N-[4-(3,5-dimethoxyphenyl)-3-nitrophenyl]acetamide
CID 177145216
2-(3-acetamidophenyl)-5-methoxybenzoic acid
CID 53227035
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 26584175
N-(8-nitronaphthalen-2-yl)acetamide
CID 615480
4-(2,4-dimethoxyanilino)-7-nitro-1H-indole-2-carboxylic acid
CID 141488870
5-chloro-4-(3-methoxyanilino)-7-nitro-1H-indole-2-carboxylic acid
CID 141488480

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide?
The IUPAC name of 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide (CID 148704936) is 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide?
The canonical SMILES for 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide is COc1ccc(S(=O)(=O)NC(=O)c2cc3c(-c4cccc(NC(C)=O)c4)ccc([N+](=O)[O-])c3[nH]2)cc1.
What is the InChIKey of 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide?
The InChIKey is NWBVAQWYAKYBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O7S/c1-14(29)25-16-5-3-4-15(12-16)19-10-11-22(28(31)32)23-20(19)13-21(26-23)24(30)27-36(33,34)18-8-6-17(35-2)7-9-18/h3-13,26H,1-2H3,(H,25,29)(H,27,30).
What are the key properties of 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide?
4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide has a molecular weight of 508.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide is sourced from PubChem (CID 148704936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).