N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide

C20H17NO4S — CID 37345483

IUPACN-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cc1OC
InChIInChI=1S/C20H17NO4S/c1-24-16-10-9-13(12-17(16)25-2)21-20(23)15-7-4-3-6-14(15)19(22)18-8-5-11-26-18/h3-12H,1-2H3,(H,21,23)
InChIKeyCTWBZYKIGXNSJL-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.25
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide

N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide (PubChem CID 37345483) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide
PubChem CID37345483
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cc1OC
InChIInChI=1S/C20H17NO4S/c1-24-16-10-9-13(12-17(16)25-2)21-20(23)15-7-4-3-6-14(15)19(22)18-8-5-11-26-18/h3-12H,1-2H3,(H,21,23)
InChIKeyCTWBZYKIGXNSJL-UHFFFAOYSA-N
XLogP4.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(thiophene-2-carbonyl)benzamide
CID 9404427
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
N-(3-fluorophenyl)-2-(thiophene-2-carbonyl)benzamide
CID 36678143
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
N-[1-(3,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195196
N-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 16818189
N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 30661239
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
(4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone
CID 57091683

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide (CID 37345483) is N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide is COc1ccc(NC(=O)c2ccccc2C(=O)c2cccs2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide?
The InChIKey is CTWBZYKIGXNSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-24-16-10-9-13(12-17(16)25-2)21-20(23)15-7-4-3-6-14(15)19(22)18-8-5-11-26-18/h3-12H,1-2H3,(H,21,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide?
N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide has a molecular weight of 367.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)benzamide is sourced from PubChem (CID 37345483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).