N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide

C19H24N2O4S — CID 113152206

IUPACN-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCOc1cccc(CCN(CC(=O)NCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-25-18-10-6-9-16(13-18)11-12-21(26(2,23)24)15-19(22)20-14-17-7-4-3-5-8-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,20,22)
InChIKeyGVKWYAGCCOKZRD-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.82
Rot. Bonds9

About N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide

N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide (PubChem CID 113152206) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
PubChem CID113152206
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
SMILESCOc1cccc(CCN(CC(=O)NCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-25-18-10-6-9-16(13-18)11-12-21(26(2,23)24)15-19(22)20-14-17-7-4-3-5-8-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,20,22)
InChIKeyGVKWYAGCCOKZRD-UHFFFAOYSA-N
XLogP1.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113152184
N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152245
N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244
2-[methylsulfonyl(2-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 963773
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide
CID 113140448
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119955
N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148476
N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152253
N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150102
ethyl N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113067706
2-[3-methoxypropyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 113149442
N-benzyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998776

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide (CID 113152206) is N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide is COc1cccc(CCN(CC(=O)NCc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
The InChIKey is GVKWYAGCCOKZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-25-18-10-6-9-16(13-18)11-12-21(26(2,23)24)15-19(22)20-14-17-7-4-3-5-8-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide?
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide has a molecular weight of 376.48 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113152206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).