2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide

C21H25ClN2O4S — CID 4924171

IUPAC2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-24(18-5-3-2-4-6-18)29(26,27)20-13-9-17(10-14-20)23-21(25)15-28-19-11-7-16(22)8-12-19/h7-14,18H,2-6,15H2,1H3,(H,23,25)
InChIKeyKTPWAFWHIGZQEK-UHFFFAOYSA-N
MW436.96 g/mol
LogP4.31
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide

2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide (PubChem CID 4924171) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
PubChem CID4924171
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-24(18-5-3-2-4-6-18)29(26,27)20-13-9-17(10-14-20)23-21(25)15-28-19-11-7-16(22)8-12-19/h7-14,18H,2-6,15H2,1H3,(H,23,25)
InChIKeyKTPWAFWHIGZQEK-UHFFFAOYSA-N
XLogP4.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 2223888
2-(4-bromophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 2969352
2-(4-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710578
2-(2-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 4924223
N-(4-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374352
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 4924131
2-(4-chlorophenoxy)-N-[4-(cyclopentylamino)phenyl]acetamide
CID 112980612
[2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199124
4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1266303
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 3526342
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenoxy)acetamide
CID 1010577
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-cyclohexylacetamide
CID 3886490

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide (CID 4924171) is 2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide?
The InChIKey is KTPWAFWHIGZQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-24(18-5-3-2-4-6-18)29(26,27)20-13-9-17(10-14-20)23-21(25)15-28-19-11-7-16(22)8-12-19/h7-14,18H,2-6,15H2,1H3,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide?
2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide has a molecular weight of 436.96 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4924171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).