2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide

C17H23FN2O3S — CID 1160764

IUPAC2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NC1CC1
InChIInChI=1S/C17H23FN2O3S/c18-13-6-10-16(11-7-13)24(22,23)20(15-4-2-1-3-5-15)12-17(21)19-14-8-9-14/h6-7,10-11,14-15H,1-5,8-9,12H2,(H,19,21)
InChIKeyJRSSDHSXGXHEQC-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.43
Rot. Bonds6

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

2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide (PubChem CID 1160764) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
PubChem CID1160764
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Name2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NC1CC1
InChIInChI=1S/C17H23FN2O3S/c18-13-6-10-16(11-7-13)24(22,23)20(15-4-2-1-3-5-15)12-17(21)19-14-8-9-14/h6-7,10-11,14-15H,1-5,8-9,12H2,(H,19,21)
InChIKeyJRSSDHSXGXHEQC-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 2813201
4-(4-Fluorophenylsulfonyl)piperazin-2-one
CID 4320295
4-(Phenylsulfonyl)-2-piperazinone
CID 9397001
N-[1-(2-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2,2-dimethyl-propionamide
CID 652036
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide
CID 799512

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide (CID 1160764) is 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NC1CC1.
What is the InChIKey of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide?
The InChIKey is JRSSDHSXGXHEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c18-13-6-10-16(11-7-13)24(22,23)20(15-4-2-1-3-5-15)12-17(21)19-14-8-9-14/h6-7,10-11,14-15H,1-5,8-9,12H2,(H,19,21).
What are the key properties of 2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide?
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-cyclopropylacetamide has a molecular weight of 354.45 g/mol, XLogP of 2.43, 6 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-cyclopropylacetamide is sourced from PubChem (CID 1160764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).