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

C18H21ClN2O4S — CID 2301916

IUPAC2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-25-17-9-5-14(6-10-17)11-20-18(22)13-21(26(2,23)24)12-15-3-7-16(19)8-4-15/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyWGKZAPIWUHQMCS-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.43
Rot. Bonds8

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

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 2301916) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID2301916
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-25-17-9-5-14(6-10-17)11-20-18(22)13-21(26(2,23)24)12-15-3-7-16(19)8-4-15/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyWGKZAPIWUHQMCS-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 2301916) is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is WGKZAPIWUHQMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-25-17-9-5-14(6-10-17)11-20-18(22)13-21(26(2,23)24)12-15-3-7-16(19)8-4-15/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 396.90 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2301916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).