2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide

C14H18FNO2S — CID 94414053

IUPAC2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
SMILESO=C(CSc1ccccc1F)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H18FNO2S/c15-10-5-1-4-8-13(10)19-9-14(18)16-11-6-2-3-7-12(11)17/h1,4-5,8,11-12,17H,2-3,6-7,9H2,(H,16,18)/t11-,12-/m1/s1
InChIKeyDMDSDHSYPWZUPA-VXGBXAGGSA-N
MW283.37 g/mol
LogP2.34
Rot. Bonds4

About 2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide

2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide (PubChem CID 94414053) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
PubChem CID94414053
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
SMILESO=C(CSc1ccccc1F)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H18FNO2S/c15-10-5-1-4-8-13(10)19-9-14(18)16-11-6-2-3-7-12(11)17/h1,4-5,8,11-12,17H,2-3,6-7,9H2,(H,16,18)/t11-,12-/m1/s1
InChIKeyDMDSDHSYPWZUPA-VXGBXAGGSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)propanamide
CID 62358670
3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
CID 104927361
2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)acetamide
CID 62358480
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylic acid
CID 64812300
2-(2-fluorophenoxy)-N-(2-hydroxycyclohexyl)acetamide
CID 62360872
2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide
CID 62366139
2-phenylsulfanyl-N-[(2R)-2-[(2-phenylsulfanylacetyl)amino]cyclohexyl]acetamide
CID 126728987
1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone
CID 82931688
2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 43249246
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956958
2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide (CID 94414053) is 2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide is O=C(CSc1ccccc1F)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
The InChIKey is DMDSDHSYPWZUPA-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-10-5-1-4-8-13(10)19-9-14(18)16-11-6-2-3-7-12(11)17/h1,4-5,8,11-12,17H,2-3,6-7,9H2,(H,16,18)/t11-,12-/m1/s1.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide has a molecular weight of 283.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 94414053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).