N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide

C18H16N2OS — CID 112985944

IUPACN-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3cccs3)cc2)c1
InChIInChI=1S/C18H16N2OS/c1-13-4-2-5-16(12-13)19-14-7-9-15(10-8-14)20-18(21)17-6-3-11-22-17/h2-12,19H,1H3,(H,20,21)
InChIKeyFTROKMIAGZLJGZ-UHFFFAOYSA-N
MW308.41 g/mol
LogP5.05
Rot. Bonds4

About N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide

N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide (PubChem CID 112985944) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide
PubChem CID112985944
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide
SMILESCc1cccc(Nc2ccc(NC(=O)c3cccs3)cc2)c1
InChIInChI=1S/C18H16N2OS/c1-13-4-2-5-16(12-13)19-14-7-9-15(10-8-14)20-18(21)17-6-3-11-22-17/h2-12,19H,1H3,(H,20,21)
InChIKeyFTROKMIAGZLJGZ-UHFFFAOYSA-N
XLogP5.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.41
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031418
N-[3-[2-(3-methylanilino)-1,3-thiazol-4-yl]phenyl]thiophene-2-carboxamide
CID 5039153
N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide
CID 112987822
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]thiophene-2-carboxamide
CID 112989143
N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide
CID 743467
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
CID 64794383
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121
N-[3-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55817668

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide (CID 112985944) is N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide is Cc1cccc(Nc2ccc(NC(=O)c3cccs3)cc2)c1.
What is the InChIKey of N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide?
The InChIKey is FTROKMIAGZLJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-13-4-2-5-16(12-13)19-14-7-9-15(10-8-14)20-18(21)17-6-3-11-22-17/h2-12,19H,1H3,(H,20,21).
What are the key properties of N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide?
N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 112985944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).