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

C16H13N3O2S — CID 138999302

IUPACN-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESNC(=O)c1cccc(NC(=O)c2sccc2-n2cccc2)c1
InChIInChI=1S/C16H13N3O2S/c17-15(20)11-4-3-5-12(10-11)18-16(21)14-13(6-9-22-14)19-7-1-2-8-19/h1-10H,(H2,17,20)(H,18,21)
InChIKeyLVHMXCTUZSXWEZ-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.89
Rot. Bonds4

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

N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 138999302) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID138999302
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESNC(=O)c1cccc(NC(=O)c2sccc2-n2cccc2)c1
InChIInChI=1S/C16H13N3O2S/c17-15(20)11-4-3-5-12(10-11)18-16(21)14-13(6-9-22-14)19-7-1-2-8-19/h1-10H,(H2,17,20)(H,18,21)
InChIKeyLVHMXCTUZSXWEZ-UHFFFAOYSA-N
XLogP2.89
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24624578
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
N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24668370
3-chloro-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 80641291
N-(3-carbamoylphenyl)thiophene-3-carboxamide
CID 17015852
5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43474607
1-phenyl-1-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea
CID 20850944
N-(4-methyl-2-pyridinyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 18155731
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
CID 107811391

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 138999302) is N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is NC(=O)c1cccc(NC(=O)c2sccc2-n2cccc2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is LVHMXCTUZSXWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c17-15(20)11-4-3-5-12(10-11)18-16(21)14-13(6-9-22-14)19-7-1-2-8-19/h1-10H,(H2,17,20)(H,18,21).
What are the key properties of N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 138999302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).