2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide

C13H18FNO3S — CID 63791051

IUPAC2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)S(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO3S/c1-10(13(16)15-8-5-9-18-2)19(17)12-7-4-3-6-11(12)14/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)
InChIKeyBYTLYZULKXQUOP-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.47
Rot. Bonds7

About 2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide

2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide (PubChem CID 63791051) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide
PubChem CID63791051
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)S(=O)c1ccccc1F
InChIInChI=1S/C13H18FNO3S/c1-10(13(16)15-8-5-9-18-2)19(17)12-7-4-3-6-11(12)14/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)
InChIKeyBYTLYZULKXQUOP-UHFFFAOYSA-N
XLogP1.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.47
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

2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide
CID 81200685
2-(2-fluorophenyl)sulfinyl-N-phenylpropanamide
CID 63792456
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
(2S)-2-(2-fluorophenoxy)-N-(3-methoxypropyl)butanamide
CID 40747099
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81380351
3-fluoro-2-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 115956076
3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 109015344
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide
CID 47224631
4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110407748
1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 24588095

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide (CID 63791051) is 2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)S(=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide?
The InChIKey is BYTLYZULKXQUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-10(13(16)15-8-5-9-18-2)19(17)12-7-4-3-6-11(12)14/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide?
2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfinyl-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 63791051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).