N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide

C21H25ClN2O4S — CID 1005925

IUPACN-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-15-7-8-16(22)13-20(15)23-21(25)14-28-18-9-11-19(12-10-18)29(26,27)24-17-5-3-2-4-6-17/h7-13,17,24H,2-6,14H2,1H3,(H,23,25)
InChIKeyMDQGKJVZLZRTGX-UHFFFAOYSA-N
MW436.96 g/mol
LogP4.28
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide

N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide (PubChem CID 1005925) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
PubChem CID1005925
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-15-7-8-16(22)13-20(15)23-21(25)14-28-18-9-11-19(12-10-18)29(26,27)24-17-5-3-2-4-6-17/h7-13,17,24H,2-6,14H2,1H3,(H,23,25)
InChIKeyMDQGKJVZLZRTGX-UHFFFAOYSA-N
XLogP4.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45374125
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1317115
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 45374112
N-(4-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374352
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45372513
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672
N-(2-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374374
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
CID 126203239
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3913624
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 28551952
methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45374668

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide (CID 1005925) is N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide is Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
The InChIKey is MDQGKJVZLZRTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-15-7-8-16(22)13-20(15)23-21(25)14-28-18-9-11-19(12-10-18)29(26,27)24-17-5-3-2-4-6-17/h7-13,17,24H,2-6,14H2,1H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide?
N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide has a molecular weight of 436.96 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 1005925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).