(3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide

C18H18N2O2 — CID 92709071

IUPAC(3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1ccc(NC(=O)C[C@@H](c2ccco2)n2cccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-14-6-8-15(9-7-14)19-18(21)13-16(17-5-4-12-22-17)20-10-2-3-11-20/h2-12,16H,13H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyQUEPWPHPKCLUAQ-INIZCTEOSA-N
MW294.35 g/mol
LogP4.01
Rot. Bonds5

About (3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide

(3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709071) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92709071
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1ccc(NC(=O)C[C@@H](c2ccco2)n2cccc2)cc1
InChIInChI=1S/C18H18N2O2/c1-14-6-8-15(9-7-14)19-18(21)13-16(17-5-4-12-22-17)20-10-2-3-11-20/h2-12,16H,13H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyQUEPWPHPKCLUAQ-INIZCTEOSA-N
XLogP4.01
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-ethylphenyl)-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide
CID 92709021
(3R)-3-(furan-2-yl)-N-pyridin-3-yl-3-pyrrol-1-ylpropanamide
CID 92725440
(3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709170
3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342886
(3S)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709616
(3R)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709615
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide
CID 46342550
(3R)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709032
(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
CID 92710134
(3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709311
(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709092
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(4-methylphenyl)oxamide
CID 122266215

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 92709071) is (3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide is Cc1ccc(NC(=O)C[C@@H](c2ccco2)n2cccc2)cc1.
What is the InChIKey of (3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is QUEPWPHPKCLUAQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14-6-8-15(9-7-14)19-18(21)13-16(17-5-4-12-22-17)20-10-2-3-11-20/h2-12,16H,13H2,1H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide?
(3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 294.35 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-yl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).