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

C22H15ClN2O2S — CID 1010573

IUPAC3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccccc1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C22H15ClN2O2S/c23-19-16-11-5-7-13-18(16)28-20(19)22(27)25-17-12-6-4-10-15(17)21(26)24-14-8-2-1-3-9-14/h1-13H,(H,24,26)(H,25,27)
InChIKeyFULRTRILLBXROF-UHFFFAOYSA-N
MW406.89 g/mol
LogP6.06
Rot. Bonds4

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

3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 1010573) has the molecular formula C22H15ClN2O2S and a molecular weight of 406.89 g/mol. Its IUPAC name is 3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID1010573
Molecular FormulaC22H15ClN2O2S
Molecular Weight406.89 g/mol
Exact Mass406.05
IUPAC Name3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccccc1NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C22H15ClN2O2S/c23-19-16-11-5-7-13-18(16)28-20(19)22(27)25-17-12-6-4-10-15(17)21(26)24-14-8-2-1-3-9-14/h1-13H,(H,24,26)(H,25,27)
InChIKeyFULRTRILLBXROF-UHFFFAOYSA-N
XLogP6.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.89
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3161672
3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 4942446
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
3-chloro-N-[2-methoxy-6-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 18376667
N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 606808
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 4948037
3,6-dichloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 30337065
3-chloro-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-1-benzothiophene-2-carboxamide
CID 7258590
3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300
N-(3-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 607008
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide (CID 1010573) is 3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1)c1ccccc1NC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is FULRTRILLBXROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O2S/c23-19-16-11-5-7-13-18(16)28-20(19)22(27)25-17-12-6-4-10-15(17)21(26)24-14-8-2-1-3-9-14/h1-13H,(H,24,26)(H,25,27).
What are the key properties of 3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 406.89 g/mol, XLogP of 6.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1010573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).