4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide

C14H19FN2O2S — CID 120588965

IUPAC4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC1CCSc2c(F)cccc21
InChIInChI=1S/C14H19FN2O2S/c1-19-9(8-16)7-13(18)17-12-5-6-20-14-10(12)3-2-4-11(14)15/h2-4,9,12H,5-8,16H2,1H3,(H,17,18)
InChIKeyUXTMTFQPKIRQIJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds5

About 4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide

4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide (PubChem CID 120588965) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide
PubChem CID120588965
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC1CCSc2c(F)cccc21
InChIInChI=1S/C14H19FN2O2S/c1-19-9(8-16)7-13(18)17-12-5-6-20-14-10(12)3-2-4-11(14)15/h2-4,9,12H,5-8,16H2,1H3,(H,17,18)
InChIKeyUXTMTFQPKIRQIJ-UHFFFAOYSA-N
XLogP1.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide
CID 103154733
4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride
CID 120587543
2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide
CID 119727121
2-(4-chlorophenyl)-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 17484447
N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-naphthalen-1-ylacetamide
CID 25401650
4-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide;hydrochloride
CID 120586516
(2S)-2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methylpentanamide;hydrochloride
CID 119727134
2-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 42921932
4-fluoro-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 17478139
4-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-methoxybutanamide
CID 120597461
N-[3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-oxopropyl]benzamide
CID 17394546
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119727126

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide (CID 120588965) is 4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide is COC(CN)CC(=O)NC1CCSc2c(F)cccc21.
What is the InChIKey of 4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide?
The InChIKey is UXTMTFQPKIRQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c1-19-9(8-16)7-13(18)17-12-5-6-20-14-10(12)3-2-4-11(14)15/h2-4,9,12H,5-8,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide?
4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide has a molecular weight of 298.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide is sourced from PubChem (CID 120588965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).