3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide

C22H24N2O3S — CID 67611251

IUPAC3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide
SMILESCc1cc(CC(CS(N)(=O)=O)c2ccccc2)n(C)c1C(=O)c1ccccc1
InChIInChI=1S/C22H24N2O3S/c1-16-13-20(24(2)21(16)22(25)18-11-7-4-8-12-18)14-19(15-28(23,26)27)17-9-5-3-6-10-17/h3-13,19H,14-15H2,1-2H3,(H2,23,26,27)
InChIKeyPSDNFZNILULWCO-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.18
Rot. Bonds7

About 3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide

3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide (PubChem CID 67611251) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide
PubChem CID67611251
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide
SMILESCc1cc(CC(CS(N)(=O)=O)c2ccccc2)n(C)c1C(=O)c1ccccc1
InChIInChI=1S/C22H24N2O3S/c1-16-13-20(24(2)21(16)22(25)18-11-7-4-8-12-18)14-19(15-28(23,26)27)17-9-5-3-6-10-17/h3-13,19H,14-15H2,1-2H3,(H2,23,26,27)
InChIKeyPSDNFZNILULWCO-UHFFFAOYSA-N
XLogP3.18
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide 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

1-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-3-hydroxy-2-pyridin-3-ylpropane-2-sulfonamide
CID 67611632
3-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]-1-phenylpropane-1-sulfonamide
CID 67611803
2-[5-(4-methoxybenzoyl)-1-methylpyrrol-2-yl]-1-phenylethanesulfonamide
CID 67611137
2-(4-amino-2-fluorophenyl)-2-(5-benzoyl-1,4-dimethylpyrrol-2-yl)acetic acid
CID 140996317
2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid
CID 67705084
[5-[(2-chlorophenyl)methyl]-1,3-dimethylpyrrol-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 173254979
1-[[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]methyl]-1,3-diphenylurea
CID 67611339
2,2-diphenylethanesulfonamide
CID 68954742
ethyl 3-benzoyl-2-methylindolizine-8-carboxylate
CID 15562899
N-[4-[[1,4-dimethyl-5-(2-methylbenzoyl)pyrrol-2-yl]methyl]phenyl]methanesulfonamide
CID 70101609
ethyl 2-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-(2-fluoro-4-nitrophenyl)acetate
CID 15870183
diphenylmethanone;2-hydroxy-2-phenyl-1-(2,3,4,5-tetramethylphenyl)ethanone
CID 175015307

Frequently Asked Questions

What is the IUPAC name of 3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of 3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide (CID 67611251) is 3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for 3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for 3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide is Cc1cc(CC(CS(N)(=O)=O)c2ccccc2)n(C)c1C(=O)c1ccccc1.
What is the InChIKey of 3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide?
The InChIKey is PSDNFZNILULWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-16-13-20(24(2)21(16)22(25)18-11-7-4-8-12-18)14-19(15-28(23,26)27)17-9-5-3-6-10-17/h3-13,19H,14-15H2,1-2H3,(H2,23,26,27).
What are the key properties of 3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide?
3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide has a molecular weight of 396.51 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-benzoyl-1,4-dimethylpyrrol-2-yl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 67611251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).