2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide

C19H27ClN2O4S — CID 2203667

IUPAC2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide
SMILESCc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C19H27ClN2O4S/c1-14-11-16(20)18(27(24,25)22-9-5-6-10-22)12-17(14)26-13-19(23)21-15-7-3-2-4-8-15/h11-12,15H,2-10,13H2,1H3,(H,21,23)
InChIKeyJVNAVIBTZKVGIX-UHFFFAOYSA-N
MW414.96 g/mol
LogP3.26
Rot. Bonds6

About 2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide

2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide (PubChem CID 2203667) has the molecular formula C19H27ClN2O4S and a molecular weight of 414.96 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide
PubChem CID2203667
Molecular FormulaC19H27ClN2O4S
Molecular Weight414.96 g/mol
Exact Mass414.14
IUPAC Name2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide
SMILESCc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C19H27ClN2O4S/c1-14-11-16(20)18(27(24,25)22-9-5-6-10-22)12-17(14)26-13-19(23)21-15-7-3-2-4-8-15/h11-12,15H,2-10,13H2,1H3,(H,21,23)
InChIKeyJVNAVIBTZKVGIX-UHFFFAOYSA-N
XLogP3.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-piperidin-1-ylsulfonylphenoxy)acetamide
CID 976547
2-[4-chloro-2-methyl-5-(1,2-oxazol-3-ylsulfamoyl)phenoxy]-N-cyclohexylacetamide
CID 2204065
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559999
2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide
CID 27241017
[2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2999971
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 42970356
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclohexylacetamide
CID 19201338
2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910142
N-cyclopropyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462487
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide
CID 62573467

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide?
The IUPAC name of 2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide (CID 2203667) is 2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide is Cc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide?
The InChIKey is JVNAVIBTZKVGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O4S/c1-14-11-16(20)18(27(24,25)22-9-5-6-10-22)12-17(14)26-13-19(23)21-15-7-3-2-4-8-15/h11-12,15H,2-10,13H2,1H3,(H,21,23).
What are the key properties of 2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide?
2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide has a molecular weight of 414.96 g/mol, XLogP of 3.26, 6 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-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide is sourced from PubChem (CID 2203667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).