4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide

C24H28N4O4S — CID 25331651

IUPAC4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(C(N)=O)n(C)c3)c2)cc1
InChIInChI=1S/C24H28N4O4S/c1-4-5-6-17-8-10-18(11-9-17)27-33(31,32)20-12-7-16(2)21(14-20)24(30)26-19-13-22(23(25)29)28(3)15-19/h7-15,27H,4-6H2,1-3H3,(H2,25,29)(H,26,30)
InChIKeyFENOHDHVQYWTKC-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.83
Rot. Bonds9

About 4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide

4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide (PubChem CID 25331651) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide
PubChem CID25331651
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(C(N)=O)n(C)c3)c2)cc1
InChIInChI=1S/C24H28N4O4S/c1-4-5-6-17-8-10-18(11-9-17)27-33(31,32)20-12-7-16(2)21(14-20)24(30)26-19-13-22(23(25)29)28(3)15-19/h7-15,27H,4-6H2,1-3H3,(H2,25,29)(H,26,30)
InChIKeyFENOHDHVQYWTKC-UHFFFAOYSA-N
XLogP3.83
TPSA123.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-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

5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 7040597
1-[[3-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 138006672
5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 97185318
5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide
CID 78785926
5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 40795564
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-[(4-butylphenyl)sulfamoyl]-2-methylbenzamide
CID 55948548
N,1-dimethyl-4-[(4-pentylphenyl)sulfamoyl]pyrrole-2-carboxamide
CID 38890446
5-[(4-butylphenyl)sulfamoyl]-2-methyl-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 124737641
[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 25038221
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735
N-(4-butylphenyl)-4-methyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 53257718
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide (CID 25331651) is 4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide is CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cc(C(N)=O)n(C)c3)c2)cc1.
What is the InChIKey of 4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide?
The InChIKey is FENOHDHVQYWTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-4-5-6-17-8-10-18(11-9-17)27-33(31,32)20-12-7-16(2)21(14-20)24(30)26-19-13-22(23(25)29)28(3)15-19/h7-15,27H,4-6H2,1-3H3,(H2,25,29)(H,26,30).
What are the key properties of 4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide?
4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.83, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoyl]amino]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 25331651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).