N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide

C16H22FNO2S — CID 71782115

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NCC(O)C1CCCCC1
InChIInChI=1S/C16H22FNO2S/c17-13-6-8-14(9-7-13)21-11-16(20)18-10-15(19)12-4-2-1-3-5-12/h6-9,12,15,19H,1-5,10-11H2,(H,18,20)
InChIKeyBBXIRCTUQVLMNL-UHFFFAOYSA-N
MW311.42 g/mol
LogP2.98
Rot. Bonds6

About N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide

N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 71782115) has the molecular formula C16H22FNO2S and a molecular weight of 311.42 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID71782115
Molecular FormulaC16H22FNO2S
Molecular Weight311.42 g/mol
Exact Mass311.14
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NCC(O)C1CCCCC1
InChIInChI=1S/C16H22FNO2S/c17-13-6-8-14(9-7-13)21-11-16(20)18-10-15(19)12-4-2-1-3-5-12/h6-9,12,15,19H,1-5,10-11H2,(H,18,20)
InChIKeyBBXIRCTUQVLMNL-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide
CID 90498778
N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide
CID 56764303
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 55171211
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 63295381
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 63298611
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 110885410
2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110888960
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 90498777
3-cyclopropyl-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 81362814
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
CID 95292204

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 71782115) is N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)NCC(O)C1CCCCC1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is BBXIRCTUQVLMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2S/c17-13-6-8-14(9-7-13)21-11-16(20)18-10-15(19)12-4-2-1-3-5-12/h6-9,12,15,19H,1-5,10-11H2,(H,18,20).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 311.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 71782115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).