2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide

C19H23ClN2O3S — CID 113153577

IUPAC2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
SMILESCS(=O)(=O)N(CCc1cccc(Cl)c1)CC(=O)NCCc1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-26(24,25)22(13-11-17-8-5-9-18(20)14-17)15-19(23)21-12-10-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,21,23)
InChIKeyQTJHZAUWSJZAGY-UHFFFAOYSA-N
MW394.92 g/mol
LogP2.50
Rot. Bonds9

About 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide

2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide (PubChem CID 113153577) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
PubChem CID113153577
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
SMILESCS(=O)(=O)N(CCc1cccc(Cl)c1)CC(=O)NCCc1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-26(24,25)22(13-11-17-8-5-9-18(20)14-17)15-19(23)21-12-10-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,21,23)
InChIKeyQTJHZAUWSJZAGY-UHFFFAOYSA-N
XLogP2.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151847
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113153556
N-[2-(3-chlorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
CID 113149307
N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113153579
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113068381
N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147731
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 113153600
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113152553
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113068392
3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 113137081
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide (CID 113153577) is 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide is CS(=O)(=O)N(CCc1cccc(Cl)c1)CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is QTJHZAUWSJZAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-26(24,25)22(13-11-17-8-5-9-18(20)14-17)15-19(23)21-12-10-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3,(H,21,23).
What are the key properties of 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide?
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 394.92 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 113153577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).