N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide

C10H12FNO2S — CID 107025881

IUPACN-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
SMILESCOc1cc(F)ccc1NC(=O)CCS
InChIInChI=1S/C10H12FNO2S/c1-14-9-6-7(11)2-3-8(9)12-10(13)4-5-15/h2-3,6,15H,4-5H2,1H3,(H,12,13)
InChIKeyLAMMWWUEIPYEDA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.09
Rot. Bonds4

About N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide

N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide (PubChem CID 107025881) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
PubChem CID107025881
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
SMILESCOc1cc(F)ccc1NC(=O)CCS
InChIInChI=1S/C10H12FNO2S/c1-14-9-6-7(11)2-3-8(9)12-10(13)4-5-15/h2-3,6,15H,4-5H2,1H3,(H,12,13)
InChIKeyLAMMWWUEIPYEDA-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 62835572
5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide
CID 54967245
N-(4-cyano-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107035018
N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107025875
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 86926661
N-(2,5-dimethoxy-4-methylphenyl)-3-sulfanylpropanamide
CID 115167651
3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 86926608
N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide
CID 34082938
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide (CID 107025881) is N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide is COc1cc(F)ccc1NC(=O)CCS.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide?
The InChIKey is LAMMWWUEIPYEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-14-9-6-7(11)2-3-8(9)12-10(13)4-5-15/h2-3,6,15H,4-5H2,1H3,(H,12,13).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide?
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide has a molecular weight of 229.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107025881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).