N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide

C19H17N3O2S — CID 9480193

IUPACN-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1
InChIInChI=1S/C19H17N3O2S/c1-22(16-6-3-2-4-7-16)21-18(23)14-9-11-15(12-10-14)20-19(24)17-8-5-13-25-17/h2-13H,1H3,(H,20,24)(H,21,23)
InChIKeyTYOUHLCYEUOJTR-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.78
Rot. Bonds5

About N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 9480193) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID9480193
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCN(NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1
InChIInChI=1S/C19H17N3O2S/c1-22(16-6-3-2-4-7-16)21-18(23)14-9-11-15(12-10-14)20-19(24)17-8-5-13-25-17/h2-13H,1H3,(H,20,24)(H,21,23)
InChIKeyTYOUHLCYEUOJTR-UHFFFAOYSA-N
XLogP3.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[ethyl(phenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 2981018
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 17296915
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9154188
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide
CID 9479496
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 809220

Frequently Asked Questions

What is the IUPAC name of N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide (CID 9480193) is N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide is CN(NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is TYOUHLCYEUOJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-22(16-6-3-2-4-7-16)21-18(23)14-9-11-15(12-10-14)20-19(24)17-8-5-13-25-17/h2-13H,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 9480193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).