4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide

C11H14FNOS2 — CID 107034188

IUPAC4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide
SMILESCSCCN(C)C(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C11H14FNOS2/c1-13(5-6-16-2)11(14)8-3-4-9(12)10(15)7-8/h3-4,7,15H,5-6H2,1-2H3
InChIKeyCDGYAACYLMBNOP-UHFFFAOYSA-N
MW259.37 g/mol
LogP2.55
Rot. Bonds4

About 4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide

4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide (PubChem CID 107034188) has the molecular formula C11H14FNOS2 and a molecular weight of 259.37 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide
PubChem CID107034188
Molecular FormulaC11H14FNOS2
Molecular Weight259.37 g/mol
Exact Mass259.05
IUPAC Name4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide
SMILESCSCCN(C)C(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C11H14FNOS2/c1-13(5-6-16-2)11(14)8-3-4-9(12)10(15)7-8/h3-4,7,15H,5-6H2,1-2H3
InChIKeyCDGYAACYLMBNOP-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 52.55
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

(E)-3-[2-fluoro-4-[methyl(2-methylsulfanylethyl)carbamoyl]phenyl]prop-2-enoic acid
CID 115987014
3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112698184
4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112698063
3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747389
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 115986816
3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656319
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107026057
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 63693090

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide?
The IUPAC name of 4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide (CID 107034188) is 4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide is CSCCN(C)C(=O)c1ccc(F)c(S)c1.
What is the InChIKey of 4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide?
The InChIKey is CDGYAACYLMBNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS2/c1-13(5-6-16-2)11(14)8-3-4-9(12)10(15)7-8/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide?
4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide has a molecular weight of 259.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-sulfanylbenzamide is sourced from PubChem (CID 107034188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).