N-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

C18H23N3O3S — CID 22552041

IUPACN-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cc1
InChIInChI=1S/C18H23N3O3S/c1-13(2)14-5-7-15(8-6-14)20-18(22)17-11-16(12-19-17)25(23,24)21-9-3-4-10-21/h5-8,11-13,19H,3-4,9-10H2,1-2H3,(H,20,22)
InChIKeyCAIRQFFULWQPLT-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.17
Rot. Bonds5

About N-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

N-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 22552041) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID22552041
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cc1
InChIInChI=1S/C18H23N3O3S/c1-13(2)14-5-7-15(8-6-14)20-18(22)17-11-16(12-19-17)25(23,24)21-9-3-4-10-21/h5-8,11-13,19H,3-4,9-10H2,1-2H3,(H,20,22)
InChIKeyCAIRQFFULWQPLT-UHFFFAOYSA-N
XLogP3.17
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-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

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 22552041) is N-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is CAIRQFFULWQPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13(2)14-5-7-15(8-6-14)20-18(22)17-11-16(12-19-17)25(23,24)21-9-3-4-10-21/h5-8,11-13,19H,3-4,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 22552041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).