N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide

C17H20N2O2S — CID 51189018

IUPACN-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C17H20N2O2S/c1-4-17(2,3)19-15(20)12-7-9-13(10-8-12)18-16(21)14-6-5-11-22-14/h5-11H,4H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyHGWFTWNXPTWTHO-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.92
Rot. Bonds5

About N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 51189018) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID51189018
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C17H20N2O2S/c1-4-17(2,3)19-15(20)12-7-9-13(10-8-12)18-16(21)14-6-5-11-22-14/h5-11H,4H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyHGWFTWNXPTWTHO-UHFFFAOYSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-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

(2S)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55939965
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
N-[4-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 111483718
N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119524473
N-[4-[(4-ethylcyclohexyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 112816443
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 17296915
4-[(2-aminoacetyl)amino]-N-(2-methylbutan-2-yl)benzamide
CID 119297460
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 51189018) is N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is HGWFTWNXPTWTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-4-17(2,3)19-15(20)12-7-9-13(10-8-12)18-16(21)14-6-5-11-22-14/h5-11H,4H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 51189018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).