N-(3-benzoyl-4,5-dimethylthiophen-2-yl)benzamide

C20H17NO2S — CID 855903

IUPACN-(3-benzoyl-4,5-dimethylthiophen-2-yl)benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C20H17NO2S/c1-13-14(2)24-20(21-19(23)16-11-7-4-8-12-16)17(13)18(22)15-9-5-3-6-10-15/h3-12H,1-2H3,(H,21,23)
InChIKeyYZQBMFSGFFOZLQ-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.85
Rot. Bonds4

About N-(3-benzoyl-4,5-dimethylthiophen-2-yl)benzamide

N-(3-benzoyl-4,5-dimethylthiophen-2-yl)benzamide (PubChem CID 855903) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(3-benzoyl-4,5-dimethylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-benzoyl-4,5-dimethylthiophen-2-yl)benzamide
PubChem CID855903
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC NameN-(3-benzoyl-4,5-dimethylthiophen-2-yl)benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C20H17NO2S/c1-13-14(2)24-20(21-19(23)16-11-7-4-8-12-16)17(13)18(22)15-9-5-3-6-10-15/h3-12H,1-2H3,(H,21,23)
InChIKeyYZQBMFSGFFOZLQ-UHFFFAOYSA-N
XLogP4.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
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-benzoyl-4,5-dimethylthiophen-2-yl)benzamide?
The IUPAC name of N-(3-benzoyl-4,5-dimethylthiophen-2-yl)benzamide (CID 855903) is N-(3-benzoyl-4,5-dimethylthiophen-2-yl)benzamide.
What is the SMILES notation for N-(3-benzoyl-4,5-dimethylthiophen-2-yl)benzamide?
The canonical SMILES for N-(3-benzoyl-4,5-dimethylthiophen-2-yl)benzamide is Cc1sc(NC(=O)c2ccccc2)c(C(=O)c2ccccc2)c1C.
What is the InChIKey of N-(3-benzoyl-4,5-dimethylthiophen-2-yl)benzamide?
The InChIKey is YZQBMFSGFFOZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2S/c1-13-14(2)24-20(21-19(23)16-11-7-4-8-12-16)17(13)18(22)15-9-5-3-6-10-15/h3-12H,1-2H3,(H,21,23).
What are the key properties of N-(3-benzoyl-4,5-dimethylthiophen-2-yl)benzamide?
N-(3-benzoyl-4,5-dimethylthiophen-2-yl)benzamide has a molecular weight of 335.43 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-4,5-dimethylthiophen-2-yl)benzamide is sourced from PubChem (CID 855903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).