2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C19H27FN2O2S — CID 18169460

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H27FN2O2S/c20-16-4-6-17(7-5-16)25-14-18(23)21-15-19(8-2-1-3-9-19)22-10-12-24-13-11-22/h4-7H,1-3,8-15H2,(H,21,23)
InChIKeyLRYPLTUURWGOKS-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.07
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 18169460) has the molecular formula C19H27FN2O2S and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID18169460
Molecular FormulaC19H27FN2O2S
Molecular Weight366.50 g/mol
Exact Mass366.18
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H27FN2O2S/c20-16-4-6-17(7-5-16)25-14-18(23)21-15-19(8-2-1-3-9-19)22-10-12-24-13-11-22/h4-7H,1-3,8-15H2,(H,21,23)
InChIKeyLRYPLTUURWGOKS-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 24819842
2-[(4-methylphenyl)thio]-N-[3-(4-morpholinyl)propyl]acetamide
CID 2219795
N-(2-morpholin-4-ylethyl)-2-phenyl-2-phenylthioacetamide
CID 3843296
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 4791442
N-(2-morpholin-4-ylethyl)-3-phenylthiopropanamide
CID 2226422
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide
CID 17473623
2-phenylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 24979288
2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2481505
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 4802479
2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 4846003
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8926699
2-((4-fluorophenyl)thio)-N-((1-(2-methoxyethyl)piperidin-4-yl)methyl)acetamide
CID 45558648

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 18169460) is 2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is O=C(CSc1ccc(F)cc1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is LRYPLTUURWGOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2S/c20-16-4-6-17(7-5-16)25-14-18(23)21-15-19(8-2-1-3-9-19)22-10-12-24-13-11-22/h4-7H,1-3,8-15H2,(H,21,23).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 366.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 18169460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).