2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide

C18H21ClN2O4S — CID 113152600

IUPAC2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CCc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-25-17-9-7-16(8-10-17)20-18(22)13-21(26(2,23)24)12-11-14-3-5-15(19)6-4-14/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyRKLGZRWAYSYNTB-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.79
Rot. Bonds8

About 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide

2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 113152600) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID113152600
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(CCc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-25-17-9-7-16(8-10-17)20-18(22)13-21(26(2,23)24)12-11-14-3-5-15(19)6-4-14/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyRKLGZRWAYSYNTB-UHFFFAOYSA-N
XLogP2.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152245
N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152317
N-(4-methoxyphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149534
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126012291
2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-(2-methylphenyl)acetamide
CID 113152301
N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 3474931
N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide
CID 113140376
N-butan-2-yl-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152263
N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151312
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 2301952
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113152553

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide (CID 113152600) is 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(CCc2ccc(Cl)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is RKLGZRWAYSYNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-25-17-9-7-16(8-10-17)20-18(22)13-21(26(2,23)24)12-11-14-3-5-15(19)6-4-14/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide?
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 396.90 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113152600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).