N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide

C15H14FNOS — CID 107027756

IUPACN-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
SMILESCN(C(=O)Cc1ccc(S)cc1)c1ccccc1F
InChIInChI=1S/C15H14FNOS/c1-17(14-5-3-2-4-13(14)16)15(18)10-11-6-8-12(19)9-7-11/h2-9,19H,10H2,1H3
InChIKeyDCPZJNOYNHHWAT-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.32
Rot. Bonds3

About N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide

N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide (PubChem CID 107027756) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
PubChem CID107027756
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
SMILESCN(C(=O)Cc1ccc(S)cc1)c1ccccc1F
InChIInChI=1S/C15H14FNOS/c1-17(14-5-3-2-4-13(14)16)15(18)10-11-6-8-12(19)9-7-11/h2-9,19H,10H2,1H3
InChIKeyDCPZJNOYNHHWAT-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-difluorophenyl)-N-methyl-2-phenylacetamide
CID 67194482
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107020688
N-(2-fluorophenyl)-N-methylpentanamide
CID 174907677
2-(2-amino-1,3-thiazol-4-yl)-N-(2-fluorophenyl)-N-methylacetamide
CID 55119506
N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide
CID 107027760
N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027641
N-(2-fluorophenyl)-N,5,5-trimethyl-3-oxohexanamide
CID 58474928
4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide
CID 115157287
N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide
CID 107027766
N-(3-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027625
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
2-(4-cyanophenyl)-N-methyl-N-(2-methylphenyl)acetamide
CID 63613721

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide (CID 107027756) is N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide is CN(C(=O)Cc1ccc(S)cc1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
The InChIKey is DCPZJNOYNHHWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-17(14-5-3-2-4-13(14)16)15(18)10-11-6-8-12(19)9-7-11/h2-9,19H,10H2,1H3.
What are the key properties of N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide?
N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107027756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).