N-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide

C19H24N2O5S — CID 55823461

IUPACN-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NS(=O)(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-21(14-16-7-5-4-6-8-16)27(23,24)20-19(22)12-10-15-9-11-17(25-2)18(13-15)26-3/h4-9,11,13H,10,12,14H2,1-3H3,(H,20,22)
InChIKeyLCSXXNNNAJVJFH-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.13
Rot. Bonds9

About N-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide

N-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 55823461) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID55823461
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NS(=O)(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-21(14-16-7-5-4-6-8-16)27(23,24)20-19(22)12-10-15-9-11-17(25-2)18(13-15)26-3/h4-9,11,13H,10,12,14H2,1-3H3,(H,20,22)
InChIKeyLCSXXNNNAJVJFH-UHFFFAOYSA-N
XLogP2.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 16573334
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide
CID 108997410
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
(2R)-2-[benzyl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 32727323
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
3-(3,4-dimethoxyphenyl)-N-(2-phenylphenyl)propanamide
CID 26727200

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide (CID 55823461) is N-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NS(=O)(=O)N(C)Cc2ccccc2)cc1OC.
What is the InChIKey of N-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is LCSXXNNNAJVJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-21(14-16-7-5-4-6-8-16)27(23,24)20-19(22)12-10-15-9-11-17(25-2)18(13-15)26-3/h4-9,11,13H,10,12,14H2,1-3H3,(H,20,22).
What are the key properties of N-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 392.48 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)sulfamoyl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 55823461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).