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

C21H26N2O4S — CID 1317115

IUPAC2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-16-7-5-6-10-20(16)22-21(24)15-27-18-11-13-19(14-12-18)28(25,26)23-17-8-3-2-4-9-17/h5-7,10-14,17,23H,2-4,8-9,15H2,1H3,(H,22,24)
InChIKeySGTFNQPOITYIHE-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.62
Rot. Bonds7

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

2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide (PubChem CID 1317115) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
PubChem CID1317115
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-16-7-5-6-10-20(16)22-21(24)15-27-18-11-13-19(14-12-18)28(25,26)23-17-8-3-2-4-9-17/h5-7,10-14,17,23H,2-4,8-9,15H2,1H3,(H,22,24)
InChIKeySGTFNQPOITYIHE-UHFFFAOYSA-N
XLogP3.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 45374112
N-(2-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374374
N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1005925
N-(5-chloro-2-methylphenyl)-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45374125
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 4511876
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 2228508
methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45374668
ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 2943450
N-(4-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374352
N-(2,6-dimethylphenyl)-2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3571007
N-(3-bromophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1315890

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide (CID 1317115) is 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide?
The InChIKey is SGTFNQPOITYIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-7-5-6-10-20(16)22-21(24)15-27-18-11-13-19(14-12-18)28(25,26)23-17-8-3-2-4-9-17/h5-7,10-14,17,23H,2-4,8-9,15H2,1H3,(H,22,24).
What are the key properties of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide?
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide has a molecular weight of 402.52 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 1317115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).