N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide

C23H24N2O5S — CID 92844931

IUPACN-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1
InChIInChI=1S/C23H24N2O5S/c1-25(19-9-5-4-6-10-19)31(27,28)21-11-7-8-17(15-21)23(26)24-16-18-14-20(29-2)12-13-22(18)30-3/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyTTWCDLMVLFNBFH-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.46
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide

N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 92844931) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID92844931
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1
InChIInChI=1S/C23H24N2O5S/c1-25(19-9-5-4-6-10-19)31(27,28)21-11-7-8-17(15-21)23(26)24-16-18-14-20(29-2)12-13-22(18)30-3/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeyTTWCDLMVLFNBFH-UHFFFAOYSA-N
XLogP3.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
N-(2,5-dimethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46797680
N-(2,4-dimethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2709362
N-[(2,5-dimethoxyphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 33107845
3-[ethyl(phenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26734441
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide
CID 55708466
N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
N-[(3-acetamidophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55688761
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46538069

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide (CID 92844931) is N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide is COc1ccc(OC)c(CNC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is TTWCDLMVLFNBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-25(19-9-5-4-6-10-19)31(27,28)21-11-7-8-17(15-21)23(26)24-16-18-14-20(29-2)12-13-22(18)30-3/h4-15H,16H2,1-3H3,(H,24,26).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 440.52 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 92844931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).