(3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

C19H18N2O2S — CID 92708932

IUPAC(3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESCC(=O)c1cccc(NC(=O)C[C@H](c2cccs2)n2cccc2)c1
InChIInChI=1S/C19H18N2O2S/c1-14(22)15-6-4-7-16(12-15)20-19(23)13-17(18-8-5-11-24-18)21-9-2-3-10-21/h2-12,17H,13H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyJUDBWFNPTLBKLT-QGZVFWFLSA-N
MW338.43 g/mol
LogP4.37
Rot. Bonds6

About (3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

(3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (PubChem CID 92708932) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is (3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
PubChem CID92708932
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name(3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
SMILESCC(=O)c1cccc(NC(=O)C[C@H](c2cccs2)n2cccc2)c1
InChIInChI=1S/C19H18N2O2S/c1-14(22)15-6-4-7-16(12-15)20-19(23)13-17(18-8-5-11-24-18)21-9-2-3-10-21/h2-12,17H,13H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyJUDBWFNPTLBKLT-QGZVFWFLSA-N
XLogP4.37
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(3-acetylphenyl)-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

N-(3-fluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 46342482
(3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709311
(3S)-N-(3,5-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708877
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708945
(3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708850
3-(3-pyrrol-1-ylbutanoylamino)benzoic acid
CID 75482450
(3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708975
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-(3-acetylphenyl)-3,4,4-trimethylpentanamide
CID 55260812
N-(3-acetylphenyl)propanamide
CID 903063
4-(3-acetylanilino)-2-ethyl-4-oxobutanoic acid
CID 112517077
(2R)-4-(3-acetylanilino)-2-(dimethylamino)-4-oxobutanoic acid
CID 2140649

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The IUPAC name of (3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide (CID 92708932) is (3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is CC(=O)c1cccc(NC(=O)C[C@H](c2cccs2)n2cccc2)c1.
What is the InChIKey of (3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
The InChIKey is JUDBWFNPTLBKLT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-14(22)15-6-4-7-16(12-15)20-19(23)13-17(18-8-5-11-24-18)21-9-2-3-10-21/h2-12,17H,13H2,1H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide?
(3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide has a molecular weight of 338.43 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 92708932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).