N,N-dimethyl-4,5-diphenylthiophene-2-carboxamide

C19H17NOS — CID 20823378

IUPACN,N-dimethyl-4,5-diphenylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C19H17NOS/c1-20(2)19(21)17-13-16(14-9-5-3-6-10-14)18(22-17)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyAYYYVUXWLAQMMF-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.78
Rot. Bonds3

About N,N-dimethyl-4,5-diphenylthiophene-2-carboxamide

N,N-dimethyl-4,5-diphenylthiophene-2-carboxamide (PubChem CID 20823378) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is N,N-dimethyl-4,5-diphenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4,5-diphenylthiophene-2-carboxamide
PubChem CID20823378
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC NameN,N-dimethyl-4,5-diphenylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C19H17NOS/c1-20(2)19(21)17-13-16(14-9-5-3-6-10-14)18(22-17)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyAYYYVUXWLAQMMF-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4,5-diphenylthiophene-2-carboxamide?
The IUPAC name of N,N-dimethyl-4,5-diphenylthiophene-2-carboxamide (CID 20823378) is N,N-dimethyl-4,5-diphenylthiophene-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4,5-diphenylthiophene-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4,5-diphenylthiophene-2-carboxamide is CN(C)C(=O)c1cc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of N,N-dimethyl-4,5-diphenylthiophene-2-carboxamide?
The InChIKey is AYYYVUXWLAQMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c1-20(2)19(21)17-13-16(14-9-5-3-6-10-14)18(22-17)15-11-7-4-8-12-15/h3-13H,1-2H3.
What are the key properties of N,N-dimethyl-4,5-diphenylthiophene-2-carboxamide?
N,N-dimethyl-4,5-diphenylthiophene-2-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4,5-diphenylthiophene-2-carboxamide is sourced from PubChem (CID 20823378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).