3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide

C20H18ClNOS — CID 17014005

IUPAC3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(N(Cc2cccs2)C(=O)c2cccc(Cl)c2)cc1C
InChIInChI=1S/C20H18ClNOS/c1-14-8-9-18(11-15(14)2)22(13-19-7-4-10-24-19)20(23)16-5-3-6-17(21)12-16/h3-12H,13H2,1-2H3
InChIKeyXDMHFJMHPBBKMN-UHFFFAOYSA-N
MW355.89 g/mol
LogP5.87
Rot. Bonds4

About 3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide

3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 17014005) has the molecular formula C20H18ClNOS and a molecular weight of 355.89 g/mol. Its IUPAC name is 3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID17014005
Molecular FormulaC20H18ClNOS
Molecular Weight355.89 g/mol
Exact Mass355.08
IUPAC Name3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(N(Cc2cccs2)C(=O)c2cccc(Cl)c2)cc1C
InChIInChI=1S/C20H18ClNOS/c1-14-8-9-18(11-15(14)2)22(13-19-7-4-10-24-19)20(23)16-5-3-6-17(21)12-16/h3-12H,13H2,1-2H3
InChIKeyXDMHFJMHPBBKMN-UHFFFAOYSA-N
XLogP5.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.89
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-4-prop-2-enoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17014002
N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 35344621
N-(4-ethylphenyl)-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 35180101
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
1-(3-chlorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62037712
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-propan-2-ylbenzamide
CID 1059599
4-chloro-N-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)benzamide
CID 35345535
N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
CID 17013155
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[(2S)-butan-2-yl]-3-chlorobenzamide
CID 93114134
4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
CID 110676338

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide (CID 17014005) is 3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide is Cc1ccc(N(Cc2cccs2)C(=O)c2cccc(Cl)c2)cc1C.
What is the InChIKey of 3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is XDMHFJMHPBBKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNOS/c1-14-8-9-18(11-15(14)2)22(13-19-7-4-10-24-19)20(23)16-5-3-6-17(21)12-16/h3-12H,13H2,1-2H3.
What are the key properties of 3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide?
3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 355.89 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 17014005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).