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

C16H24N2O3S2 — CID 8705717

IUPAC2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSC2CCCCC2)c1
InChIInChI=1S/C16H24N2O3S2/c1-18(2)23(20,21)15-10-6-7-13(11-15)17-16(19)12-22-14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,17,19)
InChIKeyXFEUFHFXQKLOHW-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.94
Rot. Bonds6

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

2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 8705717) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID8705717
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC Name2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CSC2CCCCC2)c1
InChIInChI=1S/C16H24N2O3S2/c1-18(2)23(20,21)15-10-6-7-13(11-15)17-16(19)12-22-14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,17,19)
InChIKeyXFEUFHFXQKLOHW-UHFFFAOYSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8763703
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943
4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 24819422
2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8895996
2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 134042023
2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 56570187
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9454413
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 11936521
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide
CID 94101566
2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9044613
(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 9208005

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 8705717) is 2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CSC2CCCCC2)c1.
What is the InChIKey of 2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is XFEUFHFXQKLOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c1-18(2)23(20,21)15-10-6-7-13(11-15)17-16(19)12-22-14-8-4-3-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3,(H,17,19).
What are the key properties of 2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 356.51 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 8705717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).