3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane

C24H20ClNO3S — CID 160752095

IUPAC3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane
SMILESC.COc1ccc(C(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1
InChIInChI=1S/C23H16ClNO3S.CH4/c1-28-17-12-8-15(9-13-17)21(26)14-6-10-16(11-7-14)25-23(27)22-20(24)18-4-2-3-5-19(18)29-22;/h2-13H,1H3,(H,25,27);1H4
InChIKeyRWYQOCMMPNYGMT-UHFFFAOYSA-N
MW437.95 g/mol
LogP6.68
Rot. Bonds5

About 3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane

3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane (PubChem CID 160752095) has the molecular formula C24H20ClNO3S and a molecular weight of 437.95 g/mol. Its IUPAC name is 3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane.

Molecular Properties

Compound Name3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane
PubChem CID160752095
Molecular FormulaC24H20ClNO3S
Molecular Weight437.95 g/mol
Exact Mass437.09
IUPAC Name3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane
SMILESC.COc1ccc(C(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1
InChIInChI=1S/C23H16ClNO3S.CH4/c1-28-17-12-8-15(9-13-17)21(26)14-6-10-16(11-7-14)25-23(27)22-20(24)18-4-2-3-5-19(18)29-22;/h2-13H,1H3,(H,25,27);1H4
InChIKeyRWYQOCMMPNYGMT-UHFFFAOYSA-N
XLogP6.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 86129650
N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225620
methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 4514231
3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
3-chloro-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 134010363
3-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-benzothiophene-2-carboxamide
CID 32943736
3-chloro-N-(4-heptoxyphenyl)-1-benzothiophene-2-carboxamide
CID 4951485
3-chloro-N-[(4-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 968649
N-[(4-acetylphenyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 1097001
3-chloro-N-[(4-propan-2-yloxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
CID 17339980
3-chloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-1-benzothiophene-2-carboxamide
CID 1347984
[4-(phenylcarbamoyl)phenyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 19225549

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane?
The IUPAC name of 3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane (CID 160752095) is 3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane.
What is the SMILES notation for 3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane?
The canonical SMILES for 3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane is C.COc1ccc(C(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1.
What is the InChIKey of 3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane?
The InChIKey is RWYQOCMMPNYGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO3S.CH4/c1-28-17-12-8-15(9-13-17)21(26)14-6-10-16(11-7-14)25-23(27)22-20(24)18-4-2-3-5-19(18)29-22;/h2-13H,1H3,(H,25,27);1H4.
What are the key properties of 3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane?
3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane has a molecular weight of 437.95 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane is sourced from PubChem (CID 160752095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).