N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide

C18H15ClN2O3S — CID 2225268

IUPACN-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(Cl)c(C(=O)Nc3cccc(NC(C)=O)c3)sc2c1
InChIInChI=1S/C18H15ClN2O3S/c1-10(22)20-11-4-3-5-12(8-11)21-18(23)17-16(19)14-7-6-13(24-2)9-15(14)25-17/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyWURYEPVJFHKYSS-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.77
Rot. Bonds4

About N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide

N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 2225268) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
PubChem CID2225268
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC NameN-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(Cl)c(C(=O)Nc3cccc(NC(C)=O)c3)sc2c1
InChIInChI=1S/C18H15ClN2O3S/c1-10(22)20-11-4-3-5-12(8-11)21-18(23)17-16(19)14-7-6-13(24-2)9-15(14)25-17/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyWURYEPVJFHKYSS-UHFFFAOYSA-N
XLogP4.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3-chloro-2-methylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 1013923
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
3-chloro-N-(4-ethoxyphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 4513992
3-chloro-N-(2-cyanophenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 675783
3-chloro-6-methoxy-N-[(phenylcarbamoylamino)carbamothioyl]-1-benzothiophene-2-carboxamide
CID 4513458
N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225620
methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 993999
N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
CID 1245212
3-chloro-6-methoxy-N'-(thiophene-2-carbonyl)-1-benzothiophene-2-carbohydrazide
CID 1013841
3-chloro-N-[(4-fluorophenyl)carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 3396055
methyl 3-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]-4-methylbenzoate
CID 2225358

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide (CID 2225268) is N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide is COc1ccc2c(Cl)c(C(=O)Nc3cccc(NC(C)=O)c3)sc2c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is WURYEPVJFHKYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-10(22)20-11-4-3-5-12(8-11)21-18(23)17-16(19)14-7-6-13(24-2)9-15(14)25-17/h3-9H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide?
N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 374.85 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2225268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).