3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide

C18H27ClN2O3S — CID 108759314

IUPAC3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NCCc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H27ClN2O3S/c1-18(2,13-19)17(22)20-12-11-14-7-9-16(10-8-14)25(23,24)21-15-5-3-4-6-15/h7-10,15,21H,3-6,11-13H2,1-2H3,(H,20,22)
InChIKeyKCWODCLXJSNLOJ-UHFFFAOYSA-N
MW386.95 g/mol
LogP2.83
Rot. Bonds8

About 3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide

3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide (PubChem CID 108759314) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide
PubChem CID108759314
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC Name3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NCCc1ccc(S(=O)(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H27ClN2O3S/c1-18(2,13-19)17(22)20-12-11-14-7-9-16(10-8-14)25(23,24)21-15-5-3-4-6-15/h7-10,15,21H,3-6,11-13H2,1-2H3,(H,20,22)
InChIKeyKCWODCLXJSNLOJ-UHFFFAOYSA-N
XLogP2.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 45374111
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 30126755
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide
CID 108736298
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide
CID 108759391
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
N-cyclopentyl-2,2-dimethyl-N'-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108958583
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methoxyphenoxy)propanamide
CID 108736372
4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1429121
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
CID 108736292
N'-(4-bromophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide
CID 30127102
N'-(3-chlorophenyl)-N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]oxamide
CID 30127006

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide (CID 108759314) is 3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)NCCc1ccc(S(=O)(=O)NC2CCCC2)cc1.
What is the InChIKey of 3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is KCWODCLXJSNLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3S/c1-18(2,13-19)17(22)20-12-11-14-7-9-16(10-8-14)25(23,24)21-15-5-3-4-6-15/h7-10,15,21H,3-6,11-13H2,1-2H3,(H,20,22).
What are the key properties of 3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide?
3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 386.95 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 108759314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).