3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

C18H15ClN2O2S — CID 4942446

IUPAC3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C18H15ClN2O2S/c1-21(2)18(23)11-7-3-5-9-13(11)20-17(22)16-15(19)12-8-4-6-10-14(12)24-16/h3-10H,1-2H3,(H,20,22)
InChIKeyUKTYMXUBNYAIHZ-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.51
Rot. Bonds3

About 3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 4942446) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID4942446
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C18H15ClN2O2S/c1-21(2)18(23)11-7-3-5-9-13(11)20-17(22)16-15(19)12-8-4-6-10-14(12)24-16/h3-10H,1-2H3,(H,20,22)
InChIKeyUKTYMXUBNYAIHZ-UHFFFAOYSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1010573
3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3161672
3-chloro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 7258590
N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 606808
3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate
CID 7428387
N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 4948037
3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide
CID 1012016
3-chloro-N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 17150441
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 26364259

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (CID 4942446) is 3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is CN(C)C(=O)c1ccccc1NC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is UKTYMXUBNYAIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-21(2)18(23)11-7-3-5-9-13(11)20-17(22)16-15(19)12-8-4-6-10-14(12)24-16/h3-10H,1-2H3,(H,20,22).
What are the key properties of 3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 4942446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).