3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide

C21H14ClNOS — CID 3128607

IUPAC3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C21H14ClNOS/c22-19-17-8-4-5-9-18(17)25-20(19)21(24)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,23,24)
InChIKeyGLHNRRUDFJUQBU-UHFFFAOYSA-N
MW363.87 g/mol
LogP6.47
Rot. Bonds3

About 3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 3128607) has the molecular formula C21H14ClNOS and a molecular weight of 363.87 g/mol. Its IUPAC name is 3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
PubChem CID3128607
Molecular FormulaC21H14ClNOS
Molecular Weight363.87 g/mol
Exact Mass363.05
IUPAC Name3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C21H14ClNOS/c22-19-17-8-4-5-9-18(17)25-20(19)21(24)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,23,24)
InChIKeyGLHNRRUDFJUQBU-UHFFFAOYSA-N
XLogP6.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.87
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1010573
3-chloro-N-[4-(thiophene-2-carbonylamino)phenyl]-1-benzothiophene-2-carboxamide
CID 1016206
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 4674669
3-chloro-N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 51319186
3-chloro-N-[4-(cyanomethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 27163426
N-(4-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 4083903
3-chloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55428790
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
3-chloro-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 134010363
3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane
CID 160752095
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 26894026
3-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3160838

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide (CID 3128607) is 3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is GLHNRRUDFJUQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNOS/c22-19-17-8-4-5-9-18(17)25-20(19)21(24)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,23,24).
What are the key properties of 3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 363.87 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 3128607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).