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

C20H29FN2OS — CID 4846003

IUPAC2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESO=C(CSc1ccccc1F)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H29FN2OS/c21-17-9-3-4-10-18(17)25-15-19(24)22-16-20(11-5-1-6-12-20)23-13-7-2-8-14-23/h3-4,9-10H,1-2,5-8,11-16H2,(H,22,24)
InChIKeyQVSKZKXWTUBLCH-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.22
Rot. Bonds6

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

2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (PubChem CID 4846003) has the molecular formula C20H29FN2OS and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
PubChem CID4846003
Molecular FormulaC20H29FN2OS
Molecular Weight364.53 g/mol
Exact Mass364.20
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
SMILESO=C(CSc1ccccc1F)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C20H29FN2OS/c21-17-9-3-4-10-18(17)25-15-19(24)22-16-20(11-5-1-6-12-20)23-13-7-2-8-14-23/h3-4,9-10H,1-2,5-8,11-16H2,(H,22,24)
InChIKeyQVSKZKXWTUBLCH-UHFFFAOYSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65120287
2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91770086
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid
CID 64672590
2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide
CID 91780791
3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 119953909
4-(2-fluorophenoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
CID 52717503
2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 39965228
2-(2-fluorophenyl)sulfanyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745356
1-[[[2-(2-methylphenyl)sulfanylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544916
2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide
CID 45243990
1-oxido-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridin-1-ium-2-carboxamide
CID 51116095

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide (CID 4846003) is 2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is O=C(CSc1ccccc1F)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is QVSKZKXWTUBLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2OS/c21-17-9-3-4-10-18(17)25-15-19(24)22-16-20(11-5-1-6-12-20)23-13-7-2-8-14-23/h3-4,9-10H,1-2,5-8,11-16H2,(H,22,24).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide?
2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 364.53 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 4846003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).