2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide

C16H22FNOS — CID 107033555

IUPAC2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide
SMILESCC(C)C1CCCCC1NC(=O)c1cc(S)ccc1F
InChIInChI=1S/C16H22FNOS/c1-10(2)12-5-3-4-6-15(12)18-16(19)13-9-11(20)7-8-14(13)17/h7-10,12,15,20H,3-6H2,1-2H3,(H,18,19)
InChIKeySDQLXZYZKRMPEA-UHFFFAOYSA-N
MW295.42 g/mol
LogP4.06
Rot. Bonds3

About 2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide

2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide (PubChem CID 107033555) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide
PubChem CID107033555
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC Name2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide
SMILESCC(C)C1CCCCC1NC(=O)c1cc(S)ccc1F
InChIInChI=1S/C16H22FNOS/c1-10(2)12-5-3-4-6-15(12)18-16(19)13-9-11(20)7-8-14(13)17/h7-10,12,15,20H,3-6H2,1-2H3,(H,18,19)
InChIKeySDQLXZYZKRMPEA-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-hydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
CID 107676775
2-fluoro-N-(3-methyloxan-4-yl)-5-sulfanylbenzamide
CID 114241561
5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 63483142
4-amino-2-chloro-N-(2-propan-2-ylcyclohexyl)benzamide;hydrochloride
CID 119775791
2-fluoro-5-sulfanyl-N-(thian-4-yl)benzamide
CID 107035785
N-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide
CID 107031015
N-(1,1-dioxothian-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107030226
2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
CID 107689521
N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107025232
2,5-difluoro-N-(2-hydroxycyclopentyl)benzamide
CID 43835745
2-fluoro-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 55171474
5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
CID 114301350

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide (CID 107033555) is 2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide is CC(C)C1CCCCC1NC(=O)c1cc(S)ccc1F.
What is the InChIKey of 2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide?
The InChIKey is SDQLXZYZKRMPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNOS/c1-10(2)12-5-3-4-6-15(12)18-16(19)13-9-11(20)7-8-14(13)17/h7-10,12,15,20H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide?
2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide has a molecular weight of 295.42 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-propan-2-ylcyclohexyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107033555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).