3-chloro-N-(2-thiophen-2-ylethyl)benzamide

C13H12ClNOS — CID 18111212

IUPAC3-chloro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClNOS/c14-11-4-1-3-10(9-11)13(16)15-7-6-12-5-2-8-17-12/h1-5,8-9H,6-7H2,(H,15,16)
InChIKeyOVKKMUILWPBKTJ-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.37
Rot. Bonds4

About 3-chloro-N-(2-thiophen-2-ylethyl)benzamide

3-chloro-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 18111212) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is 3-chloro-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID18111212
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name3-chloro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClNOS/c14-11-4-1-3-10(9-11)13(16)15-7-6-12-5-2-8-17-12/h1-5,8-9H,6-7H2,(H,15,16)
InChIKeyOVKKMUILWPBKTJ-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
CID 110676338
3-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 17453938
2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 113221452
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
1-[(3-chlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide
CID 53084774
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
3-chloro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110415454
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945
3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910
N-(4-thiophen-2-ylbutyl)-3-(trifluoromethyl)benzamide
CID 174746651

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-chloro-N-(2-thiophen-2-ylethyl)benzamide (CID 18111212) is 3-chloro-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is OVKKMUILWPBKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c14-11-4-1-3-10(9-11)13(16)15-7-6-12-5-2-8-17-12/h1-5,8-9H,6-7H2,(H,15,16).
What are the key properties of 3-chloro-N-(2-thiophen-2-ylethyl)benzamide?
3-chloro-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 265.77 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 18111212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).