4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide

C14H14N2O2S — CID 9180228

IUPAC4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
SMILESCSc1ccc(NC(=O)c2cc(C(C)=O)c[nH]2)cc1
InChIInChI=1S/C14H14N2O2S/c1-9(17)10-7-13(15-8-10)14(18)16-11-3-5-12(19-2)6-4-11/h3-8,15H,1-2H3,(H,16,18)
InChIKeyNSRAIIAXPNUJQY-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.19
Rot. Bonds4

About 4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 9180228) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID9180228
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
SMILESCSc1ccc(NC(=O)c2cc(C(C)=O)c[nH]2)cc1
InChIInChI=1S/C14H14N2O2S/c1-9(17)10-7-13(15-8-10)14(18)16-11-3-5-12(19-2)6-4-11/h3-8,15H,1-2H3,(H,16,18)
InChIKeyNSRAIIAXPNUJQY-UHFFFAOYSA-N
XLogP3.19
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(3-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 9072337
5-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-chlorobenzoic acid
CID 60862715
4-acetyl-N-(3-ethynylphenyl)-1H-pyrrole-2-carboxamide
CID 18168150
4-acetyl-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide
CID 9073769
4-acetyl-N-(3-chloro-4-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide
CID 86830483
4-acetyl-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-pyrrole-2-carboxamide
CID 94799587
4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
CID 60555786
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 31458266
4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
CID 18107275
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
CID 8867620

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide (CID 9180228) is 4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide is CSc1ccc(NC(=O)c2cc(C(C)=O)c[nH]2)cc1.
What is the InChIKey of 4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is NSRAIIAXPNUJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-9(17)10-7-13(15-8-10)14(18)16-11-3-5-12(19-2)6-4-11/h3-8,15H,1-2H3,(H,16,18).
What are the key properties of 4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9180228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).