N-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide

C15H20FNOS — CID 107031015

IUPACN-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide
SMILESCCC1CCCC(NC(=O)c2cc(S)ccc2F)C1
InChIInChI=1S/C15H20FNOS/c1-2-10-4-3-5-11(8-10)17-15(18)13-9-12(19)6-7-14(13)16/h6-7,9-11,19H,2-5,8H2,1H3,(H,17,18)
InChIKeyOCXHKMBTKFXWJS-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.81
Rot. Bonds3

About N-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide

N-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide (PubChem CID 107031015) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide
PubChem CID107031015
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC NameN-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide
SMILESCCC1CCCC(NC(=O)c2cc(S)ccc2F)C1
InChIInChI=1S/C15H20FNOS/c1-2-10-4-3-5-11(8-10)17-15(18)13-9-12(19)6-7-14(13)16/h6-7,9-11,19H,2-5,8H2,1H3,(H,17,18)
InChIKeyOCXHKMBTKFXWJS-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.81
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

5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide
CID 64748209
N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107025232
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130
N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 115646195
N-(3-ethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723198
N-(1,1-dioxothian-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107030226
2-fluoro-5-sulfanyl-N-(thian-4-yl)benzamide
CID 107035785
2-amino-N-(3-ethylcyclohexyl)benzamide
CID 64743131
N-(2,2-diethyloxan-4-yl)-2-fluoro-5-sulfanylbenzamide
CID 107033933
N-(3-ethylcyclohexyl)-2-hydrazinylbenzamide
CID 64750344
2-bromo-N-(4-ethylcyclohexyl)-5-sulfanylbenzamide
CID 107025059
2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide
CID 64749007

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide?
The IUPAC name of N-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide (CID 107031015) is N-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide.
What is the SMILES notation for N-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide?
The canonical SMILES for N-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide is CCC1CCCC(NC(=O)c2cc(S)ccc2F)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide?
The InChIKey is OCXHKMBTKFXWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNOS/c1-2-10-4-3-5-11(8-10)17-15(18)13-9-12(19)6-7-14(13)16/h6-7,9-11,19H,2-5,8H2,1H3,(H,17,18).
What are the key properties of N-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide?
N-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide has a molecular weight of 281.40 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexyl)-2-fluoro-5-sulfanylbenzamide is sourced from PubChem (CID 107031015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).