2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide

C18H21ClN2O4S — CID 55614997

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-21(26(23,24)17-9-7-16(19)8-10-17)12-18(22)20-11-14-3-5-15(6-4-14)13-25-2/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyDNGCPQGDJBOSGZ-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.42
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 55614997) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID55614997
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-21(26(23,24)17-9-7-16(19)8-10-17)12-18(22)20-11-14-3-5-15(6-4-14)13-25-2/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyDNGCPQGDJBOSGZ-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 46409598
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 1073007
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 2173859
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
N-[(2-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2173194
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100796959
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28561266
N-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 27660395
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338759

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide (CID 55614997) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide is COCc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is DNGCPQGDJBOSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-21(26(23,24)17-9-7-16(19)8-10-17)12-18(22)20-11-14-3-5-15(6-4-14)13-25-2/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 396.90 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55614997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).