1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C19H24N4O4S — CID 55573958

IUPAC1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)c1
InChIInChI=1S/C19H24N4O4S/c1-3-18(24)20-14-7-6-8-15(11-14)21-19(25)17-12-16(13-22(17)2)28(26,27)23-9-4-5-10-23/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyYNEZIGWASHBHIC-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.41
Rot. Bonds6

About 1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 55573958) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID55573958
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)c1
InChIInChI=1S/C19H24N4O4S/c1-3-18(24)20-14-7-6-8-15(11-14)21-19(25)17-12-16(13-22(17)2)28(26,27)23-9-4-5-10-23/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyYNEZIGWASHBHIC-UHFFFAOYSA-N
XLogP2.41
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-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

N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46409717
4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030
N-(4-tert-butylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27873802
N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483
1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27896718
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46410219
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-phenylpyrrole-2-carboxamide
CID 53087280
N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 24529336
N-[4-(3-fluorophenoxy)phenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 60538255
1-methyl-N-(1-methyl-2-oxo-3-pyridinyl)-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 75421055

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 55573958) is 1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is CCC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)c1.
What is the InChIKey of 1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is YNEZIGWASHBHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-3-18(24)20-14-7-6-8-15(11-14)21-19(25)17-12-16(13-22(17)2)28(26,27)23-9-4-5-10-23/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 55573958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).