N-(4,5-dimethylthiophen-2-yl)benzamide

C13H13NOS — CID 570162

IUPACN-(4,5-dimethylthiophen-2-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2)sc1C
InChIInChI=1S/C13H13NOS/c1-9-8-12(16-10(9)2)14-13(15)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)
InChIKeyOLPITMZYTXIQJJ-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.62
Rot. Bonds2

About N-(4,5-dimethylthiophen-2-yl)benzamide

N-(4,5-dimethylthiophen-2-yl)benzamide (PubChem CID 570162) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(4,5-dimethylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-(4,5-dimethylthiophen-2-yl)benzamide
PubChem CID570162
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC NameN-(4,5-dimethylthiophen-2-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2)sc1C
InChIInChI=1S/C13H13NOS/c1-9-8-12(16-10(9)2)14-13(15)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)
InChIKeyOLPITMZYTXIQJJ-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethylthiophen-2-yl)benzamide?
The IUPAC name of N-(4,5-dimethylthiophen-2-yl)benzamide (CID 570162) is N-(4,5-dimethylthiophen-2-yl)benzamide.
What is the SMILES notation for N-(4,5-dimethylthiophen-2-yl)benzamide?
The canonical SMILES for N-(4,5-dimethylthiophen-2-yl)benzamide is Cc1cc(NC(=O)c2ccccc2)sc1C.
What is the InChIKey of N-(4,5-dimethylthiophen-2-yl)benzamide?
The InChIKey is OLPITMZYTXIQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-9-8-12(16-10(9)2)14-13(15)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15).
What are the key properties of N-(4,5-dimethylthiophen-2-yl)benzamide?
N-(4,5-dimethylthiophen-2-yl)benzamide has a molecular weight of 231.32 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethylthiophen-2-yl)benzamide is sourced from PubChem (CID 570162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).