N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide

C18H15ClN2O2S — CID 38660045

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc2ccccc2s1
InChIInChI=1S/C18H15ClN2O2S/c1-21(11-17(22)20-14-8-4-3-7-13(14)19)18(23)16-10-12-6-2-5-9-15(12)24-16/h2-10H,11H2,1H3,(H,20,22)
InChIKeyCESFDTNKUVRAKC-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.27
Rot. Bonds4

About N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 38660045) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID38660045
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc2ccccc2s1
InChIInChI=1S/C18H15ClN2O2S/c1-21(11-17(22)20-14-8-4-3-7-13(14)19)18(23)16-10-12-6-2-5-9-15(12)24-16/h2-10H,11H2,1H3,(H,20,22)
InChIKeyCESFDTNKUVRAKC-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 17397125
N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949699
2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 38660284
2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 8749038
N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 31971689
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 4875964
methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 55789119
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2-methylindol-1-yl)acetamide
CID 9090072
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
3-bromo-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 46472425
N-(2-chlorophenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9409895
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide (CID 38660045) is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is CESFDTNKUVRAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-21(11-17(22)20-14-8-4-3-7-13(14)19)18(23)16-10-12-6-2-5-9-15(12)24-16/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 38660045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).