N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide

C17H13ClN2O3S — CID 19225620

IUPACN-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)Nc3ccc(C(N)=O)cc3)c(Cl)c2c1
InChIInChI=1S/C17H13ClN2O3S/c1-23-11-6-7-13-12(8-11)14(18)15(24-13)17(22)20-10-4-2-9(3-5-10)16(19)21/h2-8H,1H3,(H2,19,21)(H,20,22)
InChIKeyFINSNQWLSNBCGO-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.91
Rot. Bonds4

About N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide

N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 19225620) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
PubChem CID19225620
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC NameN-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2sc(C(=O)Nc3ccc(C(N)=O)cc3)c(Cl)c2c1
InChIInChI=1S/C17H13ClN2O3S/c1-23-11-6-7-13-12(8-11)14(18)15(24-13)17(22)20-10-4-2-9(3-5-10)16(19)21/h2-8H,1H3,(H2,19,21)(H,20,22)
InChIKeyFINSNQWLSNBCGO-UHFFFAOYSA-N
XLogP3.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 4514231
methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 19225608
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 19225805
3-chloro-5-methoxy-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 19225687
N-(4-butylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225588
3-chloro-N-[4-(4-methoxybenzoyl)phenyl]-1-benzothiophene-2-carboxamide;methane
CID 160752095
3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 19225659
3-chloro-N-(4-ethoxyphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 4513992
methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 2801561
N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 2225268
3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225752
3-chloro-5-methoxy-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 19225566

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide (CID 19225620) is N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide is COc1ccc2sc(C(=O)Nc3ccc(C(N)=O)cc3)c(Cl)c2c1.
What is the InChIKey of N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is FINSNQWLSNBCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c1-23-11-6-7-13-12(8-11)14(18)15(24-13)17(22)20-10-4-2-9(3-5-10)16(19)21/h2-8H,1H3,(H2,19,21)(H,20,22).
What are the key properties of N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide?
N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 360.82 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 19225620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).