N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide

C20H26N2O4S — CID 42535133

IUPACN-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)C2CC2)cc1
InChIInChI=1S/C20H26N2O4S/c1-12(2)22-14(4)13(3)18(19(22)21-20(23)15-6-7-15)27(24,25)17-10-8-16(26-5)9-11-17/h8-12,15H,6-7H2,1-5H3,(H,21,23)
InChIKeyQIFJRDPPGQRWNJ-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.88
Rot. Bonds6

About N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide

N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide (PubChem CID 42535133) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide
PubChem CID42535133
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)C2CC2)cc1
InChIInChI=1S/C20H26N2O4S/c1-12(2)22-14(4)13(3)18(19(22)21-20(23)15-6-7-15)27(24,25)17-10-8-16(26-5)9-11-17/h8-12,15H,6-7H2,1-5H3,(H,21,23)
InChIKeyQIFJRDPPGQRWNJ-UHFFFAOYSA-N
XLogP3.88
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide 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-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide
CID 42534151
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]oxolane-2-carboxamide
CID 42650191
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide
CID 42570874
N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]butanamide
CID 42534788
N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide
CID 42568874
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885
N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)sulfonylpyridazin-3-yl]piperidine-4-carboxamide
CID 53043464
N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide
CID 42582064
1-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952647
1-(4-methoxyphenyl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 16831909
dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26695275
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097080

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide (CID 42535133) is N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide is COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)C2CC2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide?
The InChIKey is QIFJRDPPGQRWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-12(2)22-14(4)13(3)18(19(22)21-20(23)15-6-7-15)27(24,25)17-10-8-16(26-5)9-11-17/h8-12,15H,6-7H2,1-5H3,(H,21,23).
What are the key properties of N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide?
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide has a molecular weight of 390.51 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42535133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).