2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide

C22H27ClN2O4S — CID 2204489

IUPAC2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide
SMILESCc1cc(Cl)c(S(=O)(=O)N(C)c2ccccc2)cc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C22H27ClN2O4S/c1-16-13-19(23)21(30(27,28)25(2)18-11-7-4-8-12-18)14-20(16)29-15-22(26)24-17-9-5-3-6-10-17/h4,7-8,11-14,17H,3,5-6,9-10,15H2,1-2H3,(H,24,26)
InChIKeyMWFLSQVTXHDAPQ-UHFFFAOYSA-N
MW450.99 g/mol
LogP4.30
Rot. Bonds7

About 2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide

2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide (PubChem CID 2204489) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is 2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide
PubChem CID2204489
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC Name2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide
SMILESCc1cc(Cl)c(S(=O)(=O)N(C)c2ccccc2)cc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C22H27ClN2O4S/c1-16-13-19(23)21(30(27,28)25(2)18-11-7-4-8-12-18)14-20(16)29-15-22(26)24-17-9-5-3-6-10-17/h4,7-8,11-14,17H,3,5-6,9-10,15H2,1-2H3,(H,24,26)
InChIKeyMWFLSQVTXHDAPQ-UHFFFAOYSA-N
XLogP4.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fenasulam
CID 12923188
2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide
CID 2203667
N-[4-({[2-(4-chloro-2-methylphenoxy)ethyl]amino}sulfonyl)phenyl]acetamide
CID 607667
2-{4-Chloro-5-[(4-ethoxyanilino)sulfonyl]-2-methylphenoxy}acetamide
CID 992267
2-(4-Chloro-5-{[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}-2-methylphenoxy)acetamide
CID 992270
2-[4-Chloro-2-methyl-5-(3-toluidinosulfonyl)phenoxy]acetamide
CID 992283
2-[4-Chloro-2-methyl-5-(4-toluidinosulfonyl)phenoxy]acetamide
CID 992284
2-{4-Chloro-5-[(4-methoxyanilino)sulfonyl]-2-methylphenoxy}acetamide
CID 992285
N-(5-chloro-2-phenoxyphenyl)-3-{4-[(isopropylamino)sulfonyl]phenyl}propanamide
CID 1006992
2-(4-chloro-3-methylphenoxy)-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}acetamide
CID 1226678
N-(3-chloro-2-methylphenyl)-2-[4-(4-morpholinylsulfonyl)phenoxy]acetamide
CID 1249201
2-[4-chloro-5-(cyclopentylsulfamoyl)-2-methylphenoxy]-N-cyclohexylacetamide
CID 1293420

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide (CID 2204489) is 2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide is Cc1cc(Cl)c(S(=O)(=O)N(C)c2ccccc2)cc1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide?
The InChIKey is MWFLSQVTXHDAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-16-13-19(23)21(30(27,28)25(2)18-11-7-4-8-12-18)14-20(16)29-15-22(26)24-17-9-5-3-6-10-17/h4,7-8,11-14,17H,3,5-6,9-10,15H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide?
2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide has a molecular weight of 450.99 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-methyl-5-[methyl(phenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 2204489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).