2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

C16H17ClN2O2S — CID 4879880

IUPAC2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2S/c1-2-19(16(21)13-7-3-4-8-14(13)17)11-15(20)18-10-12-6-5-9-22-12/h3-9H,2,10-11H2,1H3,(H,18,20)
InChIKeyCTAKAPBMPGXLLQ-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.18
Rot. Bonds6

About 2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (PubChem CID 4879880) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
PubChem CID4879880
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2S/c1-2-19(16(21)13-7-3-4-8-14(13)17)11-15(20)18-10-12-6-5-9-22-12/h3-9H,2,10-11H2,1H3,(H,18,20)
InChIKeyCTAKAPBMPGXLLQ-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
Thiophene-2-carboxylic acid [2-(4-chloro-phenyl)-2-oxo-ethyl]-amide
CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
Dipeptidyl nitrile inhibitor, 22
CID 44224132
N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
2-(3,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 4843549
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 9507811

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of 2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (CID 4879880) is 2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is CCN(CC(=O)NCc1cccs1)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The InChIKey is CTAKAPBMPGXLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-2-19(16(21)13-7-3-4-8-14(13)17)11-15(20)18-10-12-6-5-9-22-12/h3-9H,2,10-11H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide has a molecular weight of 336.84 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 4879880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).