4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide

C19H17NOS — CID 801863

IUPAC4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2csc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C19H17NOS/c1-13-8-10-16(11-9-13)20-19(21)17-12-22-18(14(17)2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,21)
InChIKeyUYSSOMCJJKEFHH-UHFFFAOYSA-N
MW307.42 g/mol
LogP5.28
Rot. Bonds3

About 4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide

4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide (PubChem CID 801863) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide
PubChem CID801863
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2csc(-c3ccccc3)c2C)cc1
InChIInChI=1S/C19H17NOS/c1-13-8-10-16(11-9-13)20-19(21)17-12-22-18(14(17)2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,21)
InChIKeyUYSSOMCJJKEFHH-UHFFFAOYSA-N
XLogP5.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.42
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide (CID 801863) is 4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide is Cc1ccc(NC(=O)c2csc(-c3ccccc3)c2C)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide?
The InChIKey is UYSSOMCJJKEFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-13-8-10-16(11-9-13)20-19(21)17-12-22-18(14(17)2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,21).
What are the key properties of 4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide?
4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 801863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).