N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide

C19H24N2O4S — CID 110409522

IUPACN-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
SMILESCOc1cccc(NS(=O)(=O)CC(C)C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O4S/c1-15(19(22)21(2)13-16-8-5-4-6-9-16)14-26(23,24)20-17-10-7-11-18(12-17)25-3/h4-12,15,20H,13-14H2,1-3H3
InChIKeyDBGCFTAVIZJYRO-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.73
Rot. Bonds8

About N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide

N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide (PubChem CID 110409522) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
PubChem CID110409522
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
SMILESCOc1cccc(NS(=O)(=O)CC(C)C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C19H24N2O4S/c1-15(19(22)21(2)13-16-8-5-4-6-9-16)14-26(23,24)20-17-10-7-11-18(12-17)25-3/h4-12,15,20H,13-14H2,1-3H3
InChIKeyDBGCFTAVIZJYRO-UHFFFAOYSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
CID 110415867
N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 17430525
N-(2,6-difluorophenyl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110428867
N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108946133
N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110411072
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
N-(2,4-difluorophenyl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110426759
3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide
CID 110417500
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 55320574
N-(1,1-dioxothiolan-3-yl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110411787
2-[[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555084
2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide
CID 79026619

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide?
The IUPAC name of N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide (CID 110409522) is N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide is COc1cccc(NS(=O)(=O)CC(C)C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide?
The InChIKey is DBGCFTAVIZJYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15(19(22)21(2)13-16-8-5-4-6-9-16)14-26(23,24)20-17-10-7-11-18(12-17)25-3/h4-12,15,20H,13-14H2,1-3H3.
What are the key properties of N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide?
N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide has a molecular weight of 376.48 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 110409522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).