2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide

C12H16FNO3S — CID 63792276

IUPAC2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c1-17-8-2-7-14-12(15)9-18(16)11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyNBUAVFFLMHVDKT-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.09
Rot. Bonds7

About 2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide

2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide (PubChem CID 63792276) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
PubChem CID63792276
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c1-17-8-2-7-14-12(15)9-18(16)11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyNBUAVFFLMHVDKT-UHFFFAOYSA-N
XLogP1.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-(4-fluorophenyl)sulfinylacetamide
CID 64715227
4-(4-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110297981
5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
CID 110298068
2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide
CID 81185383
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81348232
2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 81184227
2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 81185351
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide
CID 110610148
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide
CID 45372451
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 113164320
tert-butyl N-[3-(4-fluorophenyl)sulfinylpropyl]carbamate
CID 142223161

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide (CID 63792276) is 2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CS(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide?
The InChIKey is NBUAVFFLMHVDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-17-8-2-7-14-12(15)9-18(16)11-5-3-10(13)4-6-11/h3-6H,2,7-9H2,1H3,(H,14,15).
What are the key properties of 2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide?
2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide has a molecular weight of 273.33 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 63792276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).