2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide

C18H16N2OS — CID 134815708

IUPAC2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)sc2N)cc1
InChIInChI=1S/C18H16N2OS/c1-12-7-9-14(10-8-12)20-18(21)15-11-16(22-17(15)19)13-5-3-2-4-6-13/h2-11H,19H2,1H3,(H,20,21)
InChIKeyNCSOGTGHOPKKNQ-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.56
Rot. Bonds3

About 2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide

2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide (PubChem CID 134815708) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide
PubChem CID134815708
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)sc2N)cc1
InChIInChI=1S/C18H16N2OS/c1-12-7-9-14(10-8-12)20-18(21)15-11-16(22-17(15)19)13-5-3-2-4-6-13/h2-11H,19H2,1H3,(H,20,21)
InChIKeyNCSOGTGHOPKKNQ-UHFFFAOYSA-N
XLogP4.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide
CID 118729460
2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate
CID 3667213
5-methyl-2-(4-methylphenyl)-N-phenylbenzamide
CID 173213744
2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide
CID 134146525
3-amino-2-chloro-N-(4-methylphenyl)benzamide
CID 112574116
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
N,5-diphenylthiophene-2-carboxamide
CID 3746437
N-(4-methylphenyl)-2-methylsulfinylbenzamide
CID 12718460
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
(2-amino-5-phenylthiophen-3-yl)-piperidin-1-ylmethanone
CID 43367357
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide (CID 134815708) is 2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccccc3)sc2N)cc1.
What is the InChIKey of 2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide?
The InChIKey is NCSOGTGHOPKKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-12-7-9-14(10-8-12)20-18(21)15-11-16(22-17(15)19)13-5-3-2-4-6-13/h2-11H,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide?
2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 134815708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).