4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide

C11H14FNO2S — CID 107020016

IUPAC4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide
SMILESCOCC(C)NC(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C11H14FNO2S/c1-7(6-15-2)13-11(14)8-3-4-9(12)10(16)5-8/h3-5,7,16H,6H2,1-2H3,(H,13,14)
InChIKeyGSLMFQLHZNCQHD-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.88
Rot. Bonds4

About 4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide

4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide (PubChem CID 107020016) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide
PubChem CID107020016
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide
SMILESCOCC(C)NC(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C11H14FNO2S/c1-7(6-15-2)13-11(14)8-3-4-9(12)10(16)5-8/h3-5,7,16H,6H2,1-2H3,(H,13,14)
InChIKeyGSLMFQLHZNCQHD-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.88
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

4-fluoro-N-(1-hydroxypropan-2-yl)-3-sulfanylbenzamide
CID 107029570
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
4-fluoro-N-pent-4-en-2-yl-3-sulfanylbenzamide
CID 107035149
N-[4-(dimethylamino)butan-2-yl]-4-fluoro-3-sulfanylbenzamide
CID 107025789
N-(4-ethylsulfanylbutan-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107036007
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-sulfanylbenzamide
CID 106248577
4-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylbenzamide
CID 107035469
4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 55158856
N-but-3-yn-2-yl-4-fluoro-3-sulfanylbenzamide
CID 107036265
4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
4-(ethylamino)-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 63183722

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide?
The IUPAC name of 4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide (CID 107020016) is 4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide.
What is the SMILES notation for 4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide?
The canonical SMILES for 4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide is COCC(C)NC(=O)c1ccc(F)c(S)c1.
What is the InChIKey of 4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide?
The InChIKey is GSLMFQLHZNCQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-7(6-15-2)13-11(14)8-3-4-9(12)10(16)5-8/h3-5,7,16H,6H2,1-2H3,(H,13,14).
What are the key properties of 4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide?
4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide has a molecular weight of 243.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide is sourced from PubChem (CID 107020016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).