2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C15H22N2O3S2 — CID 8763703

IUPAC2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSC2CCCC2)c1
InChIInChI=1S/C15H22N2O3S2/c1-17(2)22(19,20)14-9-5-6-12(10-14)16-15(18)11-21-13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,16,18)
InChIKeyCGHGEMTXOYELJI-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.55
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 8763703) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID8763703
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC Name2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSC2CCCC2)c1
InChIInChI=1S/C15H22N2O3S2/c1-17(2)22(19,20)14-9-5-6-12(10-14)16-15(18)11-21-13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,16,18)
InChIKeyCGHGEMTXOYELJI-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8705717
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943
4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 24819422
2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 56570187
2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8895996
2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 134042023
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 11936521
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9454413
N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide
CID 94101566
2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9044613
[(1R,2R,3S)-2,3-dimethylcyclohexyl]-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 11920597
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 8763703) is 2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CSC2CCCC2)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is CGHGEMTXOYELJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c1-17(2)22(19,20)14-9-5-6-12(10-14)16-15(18)11-21-13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,16,18).
What are the key properties of 2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 342.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 8763703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).