N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide

C15H20F2N2O3S — CID 71975187

IUPACN-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)N(Cc1c(F)cccc1F)C1CCCC1
InChIInChI=1S/C15H20F2N2O3S/c1-18-23(21,22)10-15(20)19(11-5-2-3-6-11)9-12-13(16)7-4-8-14(12)17/h4,7-8,11,18H,2-3,5-6,9-10H2,1H3
InChIKeyHGCUCYBGORPVHC-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.79
Rot. Bonds6

About N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide

N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide (PubChem CID 71975187) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide
PubChem CID71975187
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC NameN-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)N(Cc1c(F)cccc1F)C1CCCC1
InChIInChI=1S/C15H20F2N2O3S/c1-18-23(21,22)10-15(20)19(11-5-2-3-6-11)9-12-13(16)7-4-8-14(12)17/h4,7-8,11,18H,2-3,5-6,9-10H2,1H3
InChIKeyHGCUCYBGORPVHC-UHFFFAOYSA-N
XLogP1.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide
CID 78852410
tert-butyl N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclohexylcarbamate
CID 165413618
N-cyclopentyl-N-ethyl-2,3-difluorobenzamide
CID 55101771
(2R)-N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]oxolane-2-carboxamide
CID 99859409
N-cyclohexyl-2-(2,6-difluoroanilino)-N-ethylacetamide
CID 78822634
2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
CID 112795625
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 47017544
N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide
CID 96967900
N-methyl-2-(methylsulfamoyl)-N-(2-phenylcyclohexyl)acetamide
CID 126827812
N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide
CID 62650072
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726
N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55248730

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide?
The IUPAC name of N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide (CID 71975187) is N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide.
What is the SMILES notation for N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide?
The canonical SMILES for N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide is CNS(=O)(=O)CC(=O)N(Cc1c(F)cccc1F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide?
The InChIKey is HGCUCYBGORPVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c1-18-23(21,22)10-15(20)19(11-5-2-3-6-11)9-12-13(16)7-4-8-14(12)17/h4,7-8,11,18H,2-3,5-6,9-10H2,1H3.
What are the key properties of N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide?
N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide has a molecular weight of 346.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide is sourced from PubChem (CID 71975187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).