2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide

C14H18FNO2S — CID 107024526

IUPAC2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide
SMILESCN(CC1CCCCO1)C(=O)c1cc(S)ccc1F
InChIInChI=1S/C14H18FNO2S/c1-16(9-10-4-2-3-7-18-10)14(17)12-8-11(19)5-6-13(12)15/h5-6,8,10,19H,2-4,7,9H2,1H3
InChIKeyBHTRUIAITSNUGZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.76
Rot. Bonds3

About 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide

2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide (PubChem CID 107024526) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide
PubChem CID107024526
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide
SMILESCN(CC1CCCCO1)C(=O)c1cc(S)ccc1F
InChIInChI=1S/C14H18FNO2S/c1-16(9-10-4-2-3-7-18-10)14(17)12-8-11(19)5-6-13(12)15/h5-6,8,10,19H,2-4,7,9H2,1H3
InChIKeyBHTRUIAITSNUGZ-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.76
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-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574
5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61430371
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185292
2-hydroxy-N,5-dimethyl-N-(oxan-2-ylmethyl)benzamide
CID 47344741
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55100104
4-(3-cyano-4-fluorophenyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzamide
CID 126449152
oxolan-2-ylmethyl 2-fluoro-5-sulfanylbenzoate
CID 107018460
N,1,2,5-tetramethyl-N-(oxan-2-ylmethyl)pyrrole-3-carboxamide
CID 135113148
N-methyl-2-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 61436480
3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 105387899

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide (CID 107024526) is 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide is CN(CC1CCCCO1)C(=O)c1cc(S)ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide?
The InChIKey is BHTRUIAITSNUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c1-16(9-10-4-2-3-7-18-10)14(17)12-8-11(19)5-6-13(12)15/h5-6,8,10,19H,2-4,7,9H2,1H3.
What are the key properties of 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide?
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(oxan-2-ylmethyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107024526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).