2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide

C12H17FN2O3S — CID 81190581

IUPAC2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CS(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H17FN2O3S/c1-8(6-18-2)15-12(16)7-19(17)9-3-4-11(14)10(13)5-9/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyPZSOOYCTEADXNY-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.67
Rot. Bonds6

About 2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide

2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 81190581) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide
PubChem CID81190581
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CS(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H17FN2O3S/c1-8(6-18-2)15-12(16)7-19(17)9-3-4-11(14)10(13)5-9/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyPZSOOYCTEADXNY-UHFFFAOYSA-N
XLogP0.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81186724
2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide
CID 81191461
2-fluoro-4-(methoxymethylsulfinyl)aniline
CID 81191003
2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide
CID 54957221
2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 63598301
2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 54957165
4-bromo-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfinylbenzoic acid
CID 115382582
2-fluoro-4-[(4-propan-2-ylphenyl)methylsulfinyl]aniline
CID 81191175
4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 55158856
4-(2,2-difluoroethylsulfinyl)-2-fluoroaniline
CID 81190420
2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline
CID 81192299
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide (CID 81190581) is 2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CS(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is PZSOOYCTEADXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-8(6-18-2)15-12(16)7-19(17)9-3-4-11(14)10(13)5-9/h3-5,8H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide?
2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 288.34 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 81190581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).