(3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

C18H18N2OS — CID 92708975

IUPAC(3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESO=C(C[C@@H](c1cccs1)n1cccc1)NCc1ccccc1
InChIInChI=1S/C18H18N2OS/c21-18(19-14-15-7-2-1-3-8-15)13-16(17-9-6-12-22-17)20-10-4-5-11-20/h1-12,16H,13-14H2,(H,19,21)/t16-/m0/s1
InChIKeyIIGWFJPHOPHQEF-INIZCTEOSA-N
MW310.42 g/mol
LogP3.85
Rot. Bonds6

About (3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

(3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (PubChem CID 92708975) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is (3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
PubChem CID92708975
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name(3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESO=C(C[C@@H](c1cccs1)n1cccc1)NCc1ccccc1
InChIInChI=1S/C18H18N2OS/c21-18(19-14-15-7-2-1-3-8-15)13-16(17-9-6-12-22-17)20-10-4-5-11-20/h1-12,16H,13-14H2,(H,19,21)/t16-/m0/s1
InChIKeyIIGWFJPHOPHQEF-INIZCTEOSA-N
XLogP3.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide 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

(3R)-N-(2-phenylethyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708926
N-(3-phenylpropyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 46342493
N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 102562849
3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 46342926
(3R)-N-(2-methoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708984
N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 46342482
N,N'-dibenzyl-2-bromobutanediamide
CID 12947254
(3S)-N-(3,5-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708877
(3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708932
N-benzyl-2-(thiophen-2-ylmethylamino)acetamide
CID 43242498
3-(3-methylphenyl)-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)propanamide
CID 45106963
N-(2-oxo-1,3-diazinan-1-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 167837268

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The IUPAC name of (3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (CID 92708975) is (3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is O=C(C[C@@H](c1cccs1)n1cccc1)NCc1ccccc1.
What is the InChIKey of (3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The InChIKey is IIGWFJPHOPHQEF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2OS/c21-18(19-14-15-7-2-1-3-8-15)13-16(17-9-6-12-22-17)20-10-4-5-11-20/h1-12,16H,13-14H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
(3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide has a molecular weight of 310.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 92708975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).