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

C15H21FN2O3S — CID 962736

IUPACN-cyclohexyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c1-18(11-15(19)17-13-5-3-2-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3,(H,17,19)
InChIKeyBTRJPNDFHIGUSN-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.90
Rot. Bonds5

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

N-cyclohexyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 962736) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID962736
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-cyclohexyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c1-18(11-15(19)17-13-5-3-2-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3,(H,17,19)
InChIKeyBTRJPNDFHIGUSN-UHFFFAOYSA-N
XLogP1.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.90
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
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CID 900413
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-ethyl-4-fluoro-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 2985941
N-ethyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 2991053
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide
CID 1433329

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (CID 962736) is N-cyclohexyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is BTRJPNDFHIGUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-18(11-15(19)17-13-5-3-2-4-6-13)22(20,21)14-9-7-12(16)8-10-14/h7-10,13H,2-6,11H2,1H3,(H,17,19).
What are the key properties of N-cyclohexyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
N-cyclohexyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 328.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 962736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).