2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

C21H19NO2S — CID 39951443

IUPAC2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CN(C)C(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H19NO2S/c1-15-12-13-25-19(15)14-22(2)21(24)18-11-7-6-10-17(18)20(23)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3
InChIKeyXDFFKYFLQRLIMS-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.56
Rot. Bonds5

About 2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 39951443) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID39951443
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC Name2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CN(C)C(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H19NO2S/c1-15-12-13-25-19(15)14-22(2)21(24)18-11-7-6-10-17(18)20(23)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3
InChIKeyXDFFKYFLQRLIMS-UHFFFAOYSA-N
XLogP4.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427
2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 134031406
4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 78798582
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040323
N,2-dimethyl-5-(methylsulfamoyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 51328637
N-benzyl-2-(4-bromobenzoyl)-N-methylbenzamide
CID 25465829
3-methyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]butanoic acid
CID 115186262
3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 113460696
N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 47061775
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 60651360

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 39951443) is 2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1ccsc1CN(C)C(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is XDFFKYFLQRLIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-15-12-13-25-19(15)14-22(2)21(24)18-11-7-6-10-17(18)20(23)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3.
What are the key properties of 2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 349.46 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 39951443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).