4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

C22H17FN2OS2 — CID 50928180

IUPAC4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCSc1cccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)c1
InChIInChI=1S/C22H17FN2OS2/c1-27-18-6-4-5-17(13-18)24-22(26)21-20(25-11-2-3-12-25)19(14-28-21)15-7-9-16(23)10-8-15/h2-14H,1H3,(H,24,26)
InChIKeyRSSNJDXKUGHRMT-UHFFFAOYSA-N
MW408.52 g/mol
LogP6.32
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 50928180) has the molecular formula C22H17FN2OS2 and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID50928180
Molecular FormulaC22H17FN2OS2
Molecular Weight408.52 g/mol
Exact Mass408.08
IUPAC Name4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCSc1cccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)c1
InChIInChI=1S/C22H17FN2OS2/c1-27-18-6-4-5-17(13-18)24-22(26)21-20(25-11-2-3-12-25)19(14-28-21)15-7-9-16(23)10-8-15/h2-14H,1H3,(H,24,26)
InChIKeyRSSNJDXKUGHRMT-UHFFFAOYSA-N
XLogP6.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(4-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002168
N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24624578
1-(4-fluorophenyl)-3-methyl-N-(3-methylsulfanylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915462
N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258
N-(2-methoxyphenyl)-4-(4-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002095
N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002042
N-(2,3-dimethylphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002036
4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide
CID 100747220
3-chloro-6-fluoro-N-(3-methylsulfanylphenyl)-1-benzothiophene-2-carboxamide
CID 2087791
N-(2,5-dimethylphenyl)-4-(3-methylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 50928143
N-[4-[(4-phenyl-3-pyrrol-1-ylthiophene-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 27372856
2-(4-fluoroanilino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 30142360

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 50928180) is 4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is CSc1cccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is RSSNJDXKUGHRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2OS2/c1-27-18-6-4-5-17(13-18)24-22(26)21-20(25-11-2-3-12-25)19(14-28-21)15-7-9-16(23)10-8-15/h2-14H,1H3,(H,24,26).
What are the key properties of 4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 50928180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).