4-methyl-N,5-diphenylthiophene-3-carboxamide

C18H15NOS — CID 829294

IUPAC4-methyl-N,5-diphenylthiophene-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)csc1-c1ccccc1
InChIInChI=1S/C18H15NOS/c1-13-16(18(20)19-15-10-6-3-7-11-15)12-21-17(13)14-8-4-2-5-9-14/h2-12H,1H3,(H,19,20)
InChIKeyPRNOOINXYPYYPJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.98
Rot. Bonds3

About 4-methyl-N,5-diphenylthiophene-3-carboxamide

4-methyl-N,5-diphenylthiophene-3-carboxamide (PubChem CID 829294) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-methyl-N,5-diphenylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N,5-diphenylthiophene-3-carboxamide
PubChem CID829294
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name4-methyl-N,5-diphenylthiophene-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)csc1-c1ccccc1
InChIInChI=1S/C18H15NOS/c1-13-16(18(20)19-15-10-6-3-7-11-15)12-21-17(13)14-8-4-2-5-9-14/h2-12H,1H3,(H,19,20)
InChIKeyPRNOOINXYPYYPJ-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,5-diphenylthiophene-3-carboxamide?
The IUPAC name of 4-methyl-N,5-diphenylthiophene-3-carboxamide (CID 829294) is 4-methyl-N,5-diphenylthiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-N,5-diphenylthiophene-3-carboxamide?
The canonical SMILES for 4-methyl-N,5-diphenylthiophene-3-carboxamide is Cc1c(C(=O)Nc2ccccc2)csc1-c1ccccc1.
What is the InChIKey of 4-methyl-N,5-diphenylthiophene-3-carboxamide?
The InChIKey is PRNOOINXYPYYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-13-16(18(20)19-15-10-6-3-7-11-15)12-21-17(13)14-8-4-2-5-9-14/h2-12H,1H3,(H,19,20).
What are the key properties of 4-methyl-N,5-diphenylthiophene-3-carboxamide?
4-methyl-N,5-diphenylthiophene-3-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,5-diphenylthiophene-3-carboxamide is sourced from PubChem (CID 829294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).