N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide

C9H10FNO2S — CID 130500039

IUPACN-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide
SMILESCOc1cc(F)cc(NC(=O)CS)c1
InChIInChI=1S/C9H10FNO2S/c1-13-8-3-6(10)2-7(4-8)11-9(12)5-14/h2-4,14H,5H2,1H3,(H,11,12)
InChIKeyASVDLFZUYCYSPB-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.70
Rot. Bonds3

About N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide

N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide (PubChem CID 130500039) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide
PubChem CID130500039
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC NameN-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide
SMILESCOc1cc(F)cc(NC(=O)CS)c1
InChIInChI=1S/C9H10FNO2S/c1-13-8-3-6(10)2-7(4-8)11-9(12)5-14/h2-4,14H,5H2,1H3,(H,11,12)
InChIKeyASVDLFZUYCYSPB-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.70
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

N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 114262457
3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide
CID 113411988
1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
CID 172732018
(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide
CID 113264156
N-(3,5-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 16545555
(2S)-2-[(3-fluoro-5-methoxyphenyl)carbamoylamino]butanoic acid
CID 113364397
1-(3-fluoro-5-methoxyphenyl)-3-[(2S,3S)-3-methoxybutan-2-yl]urea
CID 100666210
3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide
CID 114262949
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 22781220
1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide
CID 144540679
3-(3-fluoro-5-methoxyphenyl)-1-methyl-1-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99716494

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide?
The IUPAC name of N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide (CID 130500039) is N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide is COc1cc(F)cc(NC(=O)CS)c1.
What is the InChIKey of N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide?
The InChIKey is ASVDLFZUYCYSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2S/c1-13-8-3-6(10)2-7(4-8)11-9(12)5-14/h2-4,14H,5H2,1H3,(H,11,12).
What are the key properties of N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide?
N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide has a molecular weight of 215.25 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide is sourced from PubChem (CID 130500039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).