3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide

C24H25ClN2O4S — CID 31986975

IUPAC3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H25ClN2O4S/c1-26(16-19-9-12-21(25)13-10-19)24(28)20-11-14-22(31-3)23(15-20)32(29,30)27(2)17-18-7-5-4-6-8-18/h4-15H,16-17H2,1-3H3
InChIKeyAKRIQQMGHZOBIU-UHFFFAOYSA-N
MW472.99 g/mol
LogP4.44
Rot. Bonds8

About 3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide

3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide (PubChem CID 31986975) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
PubChem CID31986975
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C24H25ClN2O4S/c1-26(16-19-9-12-21(25)13-10-19)24(28)20-11-14-22(31-3)23(15-20)32(29,30)27(2)17-18-7-5-4-6-8-18/h4-15H,16-17H2,1-3H3
InChIKeyAKRIQQMGHZOBIU-UHFFFAOYSA-N
XLogP4.44
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
3-[benzyl(methyl)sulfamoyl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 55652909
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119503968
N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742269
3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide
CID 56517189
2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 24530085
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
3-(dimethylsulfamoyl)-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 46585419
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide
CID 55361577
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide (CID 31986975) is 3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide?
The InChIKey is AKRIQQMGHZOBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-26(16-19-9-12-21(25)13-10-19)24(28)20-11-14-22(31-3)23(15-20)32(29,30)27(2)17-18-7-5-4-6-8-18/h4-15H,16-17H2,1-3H3.
What are the key properties of 3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide?
3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide has a molecular weight of 472.99 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 31986975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).