N-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

C16H23FN2O3S — CID 893696

IUPACN-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S/c1-19(23(21,22)15-10-8-13(17)9-11-15)12-16(20)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,20)
InChIKeyBSXVXGFAEAQHPY-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.29
Rot. Bonds5

About N-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

N-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 893696) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID893696
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S/c1-19(23(21,22)15-10-8-13(17)9-11-15)12-16(20)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,20)
InChIKeyBSXVXGFAEAQHPY-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sja-6017
CID 9885817
N~1~-cyclopentyl-N~2~-(phenylsulfonyl)alaninamide
CID 2957593
N-cyclopropyl-N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 975127
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 2129437
2-[benzenesulfonyl(ethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2229748
1-[N-(phenylsulfonyl)glycylglycyl]piperidine
CID 2233338
N-cyclopentyl-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2985558
N-[1-(1-azepanylcarbonyl)-2-methylpropyl]benzenesulfonamide
CID 6460522
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
(S)-N-butyl-3-((S)-2-(4-fluorophenylsulfonamido)-3-methylbutanamido)-5-methyl-2-oxohexanamide
CID 9956417
2-(4-Fluoro-benzenesulfonylamino)-N-(1-formyl-3-methyl-butyl)-3-methyl-butyramide
CID 10861643
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
CID 10916049

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (CID 893696) is N-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is BSXVXGFAEAQHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-19(23(21,22)15-10-8-13(17)9-11-15)12-16(20)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,20).
What are the key properties of N-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
N-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 893696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).