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

C16H14N2OS2 — CID 24624578

IUPACN-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCSc1cccc(NC(=O)c2sccc2-n2cccc2)c1
InChIInChI=1S/C16H14N2OS2/c1-20-13-6-4-5-12(11-13)17-16(19)15-14(7-10-21-15)18-8-2-3-9-18/h2-11H,1H3,(H,17,19)
InChIKeyROBOAJARAJGDPX-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.51
Rot. Bonds4

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

N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 24624578) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID24624578
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCSc1cccc(NC(=O)c2sccc2-n2cccc2)c1
InChIInChI=1S/C16H14N2OS2/c1-20-13-6-4-5-12(11-13)17-16(19)15-14(7-10-21-15)18-8-2-3-9-18/h2-11H,1H3,(H,17,19)
InChIKeyROBOAJARAJGDPX-UHFFFAOYSA-N
XLogP4.51
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258
4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 50928180
N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 64792811
1-(3-chlorophenyl)-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea
CID 1481227
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 47097986
N-(3-methylsulfanylphenyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 35826986
N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24668370
3-chloro-6-fluoro-N-(3-methylsulfanylphenyl)-1-benzothiophene-2-carboxamide
CID 2087791
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
1-(3-methylsulfanylphenyl)-3-thiophen-2-ylurea
CID 108889171
5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide
CID 9072643

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 24624578) is N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is CSc1cccc(NC(=O)c2sccc2-n2cccc2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is ROBOAJARAJGDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-20-13-6-4-5-12(11-13)17-16(19)15-14(7-10-21-15)18-8-2-3-9-18/h2-11H,1H3,(H,17,19).
What are the key properties of N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 314.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 24624578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).