N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide

C25H28N2O5S — CID 27786521

IUPACN-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)c1OC
InChIInChI=1S/C25H28N2O5S/c1-17-9-10-18(2)23(15-17)33(29,30)26-21-13-11-19(12-14-21)25(28)27(3)16-20-7-6-8-22(31-4)24(20)32-5/h6-15,26H,16H2,1-5H3
InChIKeyLOGGVRZPTJXYFD-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.39
Rot. Bonds8

About N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide

N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide (PubChem CID 27786521) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide
PubChem CID27786521
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)c1OC
InChIInChI=1S/C25H28N2O5S/c1-17-9-10-18(2)23(15-17)33(29,30)26-21-13-11-19(12-14-21)25(28)27(3)16-20-7-6-8-22(31-4)24(20)32-5/h6-15,26H,16H2,1-5H3
InChIKeyLOGGVRZPTJXYFD-UHFFFAOYSA-N
XLogP4.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778064
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18112138
N-methyl-4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 24980139
N-benzyl-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4042579
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24550377
N-methyl-4-[(3-nitrophenyl)sulfonylamino]-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 4854406
N-[(2,3-dimethoxyphenyl)methyl]-3-(ethylsulfamoyl)-N-methylbenzamide
CID 36544729
N,4-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 17399115
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 25331393
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 27886844

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide (CID 27786521) is N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide is COc1cccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide?
The InChIKey is LOGGVRZPTJXYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-17-9-10-18(2)23(15-17)33(29,30)26-21-13-11-19(12-14-21)25(28)27(3)16-20-7-6-8-22(31-4)24(20)32-5/h6-15,26H,16H2,1-5H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide?
N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide has a molecular weight of 468.58 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 27786521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).