4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide

C14H14ClNOS — CID 78801917

IUPAC4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNOS/c1-2-16(10-13-4-3-9-18-13)14(17)11-5-7-12(15)8-6-11/h3-9H,2,10H2,1H3
InChIKeyUPIJMNNLBNYBAG-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.06
Rot. Bonds4

About 4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide

4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 78801917) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID78801917
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNOS/c1-2-16(10-13-4-3-9-18-13)14(17)11-5-7-12(15)8-6-11/h3-9H,2,10H2,1H3
InChIKeyUPIJMNNLBNYBAG-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
4-chloro-N-ethyl-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 60655635
4-(difluoromethylsulfanyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 47019958
3-amino-4-(dimethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 61106292
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801031
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
7-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 32582610
2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024588
N-ethyl-4-hydrazinyl-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 63211798
N-ethyl-6-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62175204

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide (CID 78801917) is 4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide is CCN(Cc1cccs1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is UPIJMNNLBNYBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-2-16(10-13-4-3-9-18-13)14(17)11-5-7-12(15)8-6-11/h3-9H,2,10H2,1H3.
What are the key properties of 4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide?
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 279.79 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 78801917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).