N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide

C19H24N2O5S — CID 112999271

IUPACN-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)CCCc2ccccc2)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-25-16-10-11-17(18(13-16)26-2)21-19(22)14-20-27(23,24)12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13,20H,6,9,12,14H2,1-2H3,(H,21,22)
InChIKeyWSIJJYKZOMJNBX-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.19
Rot. Bonds10

About N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide

N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide (PubChem CID 112999271) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
PubChem CID112999271
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)CCCc2ccccc2)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-25-16-10-11-17(18(13-16)26-2)21-19(22)14-20-27(23,24)12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13,20H,6,9,12,14H2,1-2H3,(H,21,22)
InChIKeyWSIJJYKZOMJNBX-UHFFFAOYSA-N
XLogP2.19
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112998607
2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
CID 112999249
N-(2-methoxy-5-methylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
CID 112998959
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030966
N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
CID 110756497
3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide
CID 126237309
methyl 4-[[2-(3-phenylpropylsulfonylamino)acetyl]amino]benzoate
CID 112999988
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 126155694
N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide
CID 108947379
N-(2,4-dimethoxyphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782485
N-(3-chlorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112997895

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide (CID 112999271) is N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide is COc1ccc(NC(=O)CNS(=O)(=O)CCCc2ccccc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide?
The InChIKey is WSIJJYKZOMJNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-25-16-10-11-17(18(13-16)26-2)21-19(22)14-20-27(23,24)12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13,20H,6,9,12,14H2,1-2H3,(H,21,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide?
N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide has a molecular weight of 392.48 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide is sourced from PubChem (CID 112999271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).