N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide

C19H14N2OS — CID 1247091

IUPACN-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C19H14N2OS/c1-13-17(14-8-4-2-5-9-14)16(12-20)19(23-13)21-18(22)15-10-6-3-7-11-15/h2-11H,1H3,(H,21,22)
InChIKeyYAQGELUEAAFFDA-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.85
Rot. Bonds3

About N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide

N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide (PubChem CID 1247091) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide
PubChem CID1247091
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC NameN-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C19H14N2OS/c1-13-17(14-8-4-2-5-9-14)16(12-20)19(23-13)21-18(22)15-10-6-3-7-11-15/h2-11H,1H3,(H,21,22)
InChIKeyYAQGELUEAAFFDA-UHFFFAOYSA-N
XLogP4.85
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide?
The IUPAC name of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide (CID 1247091) is N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide.
What is the SMILES notation for N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide?
The canonical SMILES for N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide is Cc1sc(NC(=O)c2ccccc2)c(C#N)c1-c1ccccc1.
What is the InChIKey of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide?
The InChIKey is YAQGELUEAAFFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-13-17(14-8-4-2-5-9-14)16(12-20)19(23-13)21-18(22)15-10-6-3-7-11-15/h2-11H,1H3,(H,21,22).
What are the key properties of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide?
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide has a molecular weight of 318.40 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide is sourced from PubChem (CID 1247091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).