N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide

C12H14FNO2S — CID 47124070

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C12H14FNO2S/c1-16-7-12(15)14-10-4-5-17-11-3-2-8(13)6-9(10)11/h2-3,6,10H,4-5,7H2,1H3,(H,14,15)
InChIKeyRGPZNONWRGDPTD-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.13
Rot. Bonds3

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide (PubChem CID 47124070) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide
PubChem CID47124070
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide
SMILESCOCC(=O)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C12H14FNO2S/c1-16-7-12(15)14-10-4-5-17-11-3-2-8(13)6-9(10)11/h2-3,6,10H,4-5,7H2,1H3,(H,14,15)
InChIKeyRGPZNONWRGDPTD-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[1-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 25161535
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 2571522
[2-(Benzylamino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 4788393
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 4791442
[2-[1-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 16287397
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2385611
2-ethoxy-N-((1-(2-(methylthio)benzyl)piperidin-4-yl)methyl)acetamide
CID 52196927
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
CID 25572290
3-acetamido-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 75413408
[(1S)-1-(4-methylphenyl)sulfanyl-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] acetate
CID 11850992
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2583503
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide
CID 4808877

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide (CID 47124070) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide is COCC(=O)NC1CCSc2ccc(F)cc21.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide?
The InChIKey is RGPZNONWRGDPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c1-16-7-12(15)14-10-4-5-17-11-3-2-8(13)6-9(10)11/h2-3,6,10H,4-5,7H2,1H3,(H,14,15).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide has a molecular weight of 255.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxyacetamide is sourced from PubChem (CID 47124070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).