N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide

C19H23ClN2O3S — CID 113151099

IUPACN-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-3-21(13-16-7-5-4-6-8-16)19(23)15-22(26(2,24)25)14-17-9-11-18(20)12-10-17/h4-12H,3,13-15H2,1-2H3
InChIKeySMGNMVXOWKDQLQ-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.15
Rot. Bonds8

About N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide

N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide (PubChem CID 113151099) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide
PubChem CID113151099
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-3-21(13-16-7-5-4-6-8-16)19(23)15-22(26(2,24)25)14-17-9-11-18(20)12-10-17/h4-12H,3,13-15H2,1-2H3
InChIKeySMGNMVXOWKDQLQ-UHFFFAOYSA-N
XLogP3.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113151118
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 43020569
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
CID 4780411
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 7917886
N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide
CID 113157686
3-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide
CID 92931902
N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide
CID 108946690
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2231151
N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide
CID 113153950

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide (CID 113151099) is N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide?
The InChIKey is SMGNMVXOWKDQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-3-21(13-16-7-5-4-6-8-16)19(23)15-22(26(2,24)25)14-17-9-11-18(20)12-10-17/h4-12H,3,13-15H2,1-2H3.
What are the key properties of N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide?
N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide has a molecular weight of 394.92 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide is sourced from PubChem (CID 113151099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).