N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide

C17H18FNOS — CID 107029072

IUPACN-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H18FNOS/c1-11-8-9-13(21)10-15(11)17(20)19(3)12(2)14-6-4-5-7-16(14)18/h4-10,12,21H,1-3H3
InChIKeyXCXFODDNQKFEOI-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.26
Rot. Bonds3

About N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide

N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide (PubChem CID 107029072) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide
PubChem CID107029072
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H18FNOS/c1-11-8-9-13(21)10-15(11)17(20)19(3)12(2)14-6-4-5-7-16(14)18/h4-10,12,21H,1-3H3
InChIKeyXCXFODDNQKFEOI-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N,2-dimethylbenzamide
CID 103865191
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 81458555
N-butan-2-yl-N,2-dimethyl-5-sulfanylbenzamide
CID 107022481
2-amino-N-[1-(2-fluorophenyl)ethyl]-5-hydroxy-N-methylbenzamide
CID 107074458
N-(2-hydroxypropyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028262
N,N,2-trimethyl-5-sulfanylbenzamide
CID 107021651
3,5-dibromo-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 107980294
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 105386146
5-bromo-2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62000841
2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62979099
N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide
CID 112725705
N-(2-hydroxyethyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107023651

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide (CID 107029072) is N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)N(C)C(C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide?
The InChIKey is XCXFODDNQKFEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-11-8-9-13(21)10-15(11)17(20)19(3)12(2)14-6-4-5-7-16(14)18/h4-10,12,21H,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide?
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide has a molecular weight of 303.40 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-5-sulfanylbenzamide is sourced from PubChem (CID 107029072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).