N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide

C17H19ClN2O4S — CID 26545356

IUPACN-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(Cl)cc1CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-12(21)19-15-5-7-16(8-6-15)25(22,23)20(2)11-13-10-14(18)4-9-17(13)24-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyDZEDOUMWLWKJAD-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.13
Rot. Bonds6

About N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide

N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide (PubChem CID 26545356) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
PubChem CID26545356
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(Cl)cc1CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-12(21)19-15-5-7-16(8-6-15)25(22,23)20(2)11-13-10-14(18)4-9-17(13)24-3/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyDZEDOUMWLWKJAD-UHFFFAOYSA-N
XLogP3.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422
[2-[[(4-acetamidophenyl)sulfonyl-methylamino]methyl]-4-acetyloxy-5-methoxyphenyl] acetate
CID 91691887
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylacetamide
CID 55685943
N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889666
N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 94606005
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide
CID 9320671
(5-chloro-2-methoxyphenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 46617678
N-[1-(4-chlorophenyl)ethyl]-3-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-4-methoxybenzamide
CID 133230936
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1308866
N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide
CID 100501676
4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide
CID 108808280

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide (CID 26545356) is N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide is COc1ccc(Cl)cc1CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
The InChIKey is DZEDOUMWLWKJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-12(21)19-15-5-7-16(8-6-15)25(22,23)20(2)11-13-10-14(18)4-9-17(13)24-3/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide?
N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide has a molecular weight of 382.87 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 26545356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).