N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide

C16H24N2O3S2 — CID 94101566

IUPACN-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCCSC2CCCC2)c1
InChIInChI=1S/C16H24N2O3S2/c1-18(2)23(20,21)15-9-5-6-13(12-15)16(19)17-10-11-22-14-7-3-4-8-14/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3,(H,17,19)
InChIKeyMWEMPCNUKQUAOZ-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.34
Rot. Bonds7

About N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide

N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 94101566) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide
PubChem CID94101566
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC NameN-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCCSC2CCCC2)c1
InChIInChI=1S/C16H24N2O3S2/c1-18(2)23(20,21)15-9-5-6-13(12-15)16(19)17-10-11-22-14-7-3-4-8-14/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3,(H,17,19)
InChIKeyMWEMPCNUKQUAOZ-UHFFFAOYSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylsulfanylethyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 100750646
N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide
CID 32541665
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 43007092
3-(dimethylsulfamoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 51196838
N-(2-cyclopentylsulfanylethyl)-4-methyl-3-methylsulfonylbenzamide
CID 47047129
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8763703
2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8705717
2-[benzenesulfonyl(methyl)amino]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 100712934
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide (CID 94101566) is N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)NCCSC2CCCC2)c1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is MWEMPCNUKQUAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c1-18(2)23(20,21)15-9-5-6-13(12-15)16(19)17-10-11-22-14-7-3-4-8-14/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3,(H,17,19).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide?
N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 356.51 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 94101566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).