(3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide

C22H22N2O2 — CID 92709311

IUPAC(3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCC(=O)c1cccc(NC(=O)C[C@@H](c2ccc(C)cc2)n2cccc2)c1
InChIInChI=1S/C22H22N2O2/c1-16-8-10-18(11-9-16)21(24-12-3-4-13-24)15-22(26)23-20-7-5-6-19(14-20)17(2)25/h3-14,21H,15H2,1-2H3,(H,23,26)/t21-/m0/s1
InChIKeyXPZHDNLYRBJMAC-NRFANRHFSA-N
MW346.43 g/mol
LogP4.62
Rot. Bonds6

About (3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide

(3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709311) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92709311
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCC(=O)c1cccc(NC(=O)C[C@@H](c2ccc(C)cc2)n2cccc2)c1
InChIInChI=1S/C22H22N2O2/c1-16-8-10-18(11-9-16)21(24-12-3-4-13-24)15-22(26)23-20-7-5-6-19(14-20)17(2)25/h3-14,21H,15H2,1-2H3,(H,23,26)/t21-/m0/s1
InChIKeyXPZHDNLYRBJMAC-NRFANRHFSA-N
XLogP4.62
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708932
(3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709170
(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
CID 92710134
(3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709083
(3R)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709615
(3S)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709616
3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342886
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
[2-(3-acetylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392545
(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709092
3-(3-pyrrol-1-ylbutanoylamino)benzoic acid
CID 75482450
(3S)-N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709223

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 92709311) is (3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide is CC(=O)c1cccc(NC(=O)C[C@@H](c2ccc(C)cc2)n2cccc2)c1.
What is the InChIKey of (3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is XPZHDNLYRBJMAC-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16-8-10-18(11-9-16)21(24-12-3-4-13-24)15-22(26)23-20-7-5-6-19(14-20)17(2)25/h3-14,21H,15H2,1-2H3,(H,23,26)/t21-/m0/s1.
What are the key properties of (3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
(3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 346.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).