2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide

C17H23FN2O3S — CID 2301485

IUPAC2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O3S/c1-2-12-19-17(21)13-20(15-6-4-3-5-7-15)24(22,23)16-10-8-14(18)9-11-16/h2,8-11,15H,1,3-7,12-13H2,(H,19,21)
InChIKeyHMDSWCBYTCCJJJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.45
Rot. Bonds7

About 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide (PubChem CID 2301485) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide
PubChem CID2301485
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O3S/c1-2-12-19-17(21)13-20(15-6-4-3-5-7-15)24(22,23)16-10-8-14(18)9-11-16/h2,8-11,15H,1,3-7,12-13H2,(H,19,21)
InChIKeyHMDSWCBYTCCJJJ-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-pentylacetamide
CID 21380505
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 1330319
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 2917007
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(2,4-difluorophenyl)acetamide
CID 126062232
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 1041727
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40554659
N-(3-chlorophenyl)-2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 987644
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99967182
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide
CID 4207935
N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide
CID 28708327
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2,4-difluorophenyl)acetamide
CID 1330856
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4550149

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide (CID 2301485) is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide?
The InChIKey is HMDSWCBYTCCJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c1-2-12-19-17(21)13-20(15-6-4-3-5-7-15)24(22,23)16-10-8-14(18)9-11-16/h2,8-11,15H,1,3-7,12-13H2,(H,19,21).
What are the key properties of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide?
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide has a molecular weight of 354.45 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 2301485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).