N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide

C15H21FN2OS — CID 107026589

IUPACN-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide
SMILESCCN1CCC(N(C)C(=O)c2cc(S)ccc2F)CC1
InChIInChI=1S/C15H21FN2OS/c1-3-18-8-6-11(7-9-18)17(2)15(19)13-10-12(20)4-5-14(13)16/h4-5,10-11,20H,3,6-9H2,1-2H3
InChIKeyNGBWMDPVXPEYKV-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.67
Rot. Bonds3

About N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide

N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide (PubChem CID 107026589) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide
PubChem CID107026589
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide
SMILESCCN1CCC(N(C)C(=O)c2cc(S)ccc2F)CC1
InChIInChI=1S/C15H21FN2OS/c1-3-18-8-6-11(7-9-18)17(2)15(19)13-10-12(20)4-5-14(13)16/h4-5,10-11,20H,3,6-9H2,1-2H3
InChIKeyNGBWMDPVXPEYKV-UHFFFAOYSA-N
XLogP2.67
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide
CID 107020927
3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide
CID 43574421
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzamide
CID 55002980
N-(1-ethylpiperidin-4-yl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107026594
N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107026586
2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 54877660
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385564
2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120708
5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24690461
N-(1-ethylpiperidin-4-yl)-N-methyl-2-(methylamino)benzamide
CID 61377274
N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107025232

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide (CID 107026589) is N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide is CCN1CCC(N(C)C(=O)c2cc(S)ccc2F)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide?
The InChIKey is NGBWMDPVXPEYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c1-3-18-8-6-11(7-9-18)17(2)15(19)13-10-12(20)4-5-14(13)16/h4-5,10-11,20H,3,6-9H2,1-2H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide?
N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide has a molecular weight of 296.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107026589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).