2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide

C18H22ClN3O5S — CID 2204065

IUPAC2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide
SMILESCc1cc(Cl)c(S(=O)(=O)Nc2ccon2)cc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C18H22ClN3O5S/c1-12-9-14(19)16(28(24,25)22-17-7-8-27-21-17)10-15(12)26-11-18(23)20-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,20,23)(H,21,22)
InChIKeySMLBGJZOGTWCAW-UHFFFAOYSA-N
MW427.91 g/mol
LogP3.26
Rot. Bonds7

About 2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide

2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide (PubChem CID 2204065) has the molecular formula C18H22ClN3O5S and a molecular weight of 427.91 g/mol. Its IUPAC name is 2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide
PubChem CID2204065
Molecular FormulaC18H22ClN3O5S
Molecular Weight427.91 g/mol
Exact Mass427.10
IUPAC Name2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide
SMILESCc1cc(Cl)c(S(=O)(=O)Nc2ccon2)cc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C18H22ClN3O5S/c1-12-9-14(19)16(28(24,25)22-17-7-8-27-21-17)10-15(12)26-11-18(23)20-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,20,23)(H,21,22)
InChIKeySMLBGJZOGTWCAW-UHFFFAOYSA-N
XLogP3.26
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(azepan-1-ylsulfonyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide
CID 1293677
2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide
CID 2203667
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
1-cycloheptyl-3-(1,2-oxazol-3-yl)urea
CID 108811981
N-cyclohexyl-2-(2,5-dichloro-4-methylanilino)acetamide
CID 104726780
2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910142
2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide
CID 62573467
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
2-[4-chloro-2-methyl-5-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 992284
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611
4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride
CID 82911512

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide (CID 2204065) is 2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide is Cc1cc(Cl)c(S(=O)(=O)Nc2ccon2)cc1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide?
The InChIKey is SMLBGJZOGTWCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O5S/c1-12-9-14(19)16(28(24,25)22-17-7-8-27-21-17)10-15(12)26-11-18(23)20-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide?
2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide has a molecular weight of 427.91 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 2204065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).