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

C15H14FNOS2 — CID 47121348

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C15H14FNOS2/c16-10-3-4-14-12(8-10)13(5-7-20-14)17-15(18)9-11-2-1-6-19-11/h1-4,6,8,13H,5,7,9H2,(H,17,18)
InChIKeyRNRAQHVDQHYKGT-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.78
Rot. Bonds3

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

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide (PubChem CID 47121348) has the molecular formula C15H14FNOS2 and a molecular weight of 307.41 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide
PubChem CID47121348
Molecular FormulaC15H14FNOS2
Molecular Weight307.41 g/mol
Exact Mass307.05
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C15H14FNOS2/c16-10-3-4-14-12(8-10)13(5-7-20-14)17-15(18)9-11-2-1-6-19-11/h1-4,6,8,13H,5,7,9H2,(H,17,18)
InChIKeyRNRAQHVDQHYKGT-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-hydroxyphenyl)acetamide
CID 78820326
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-methylphenyl)acetamide
CID 51247447
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,3-dimethylbutanamide
CID 47121350
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
CID 26468672
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
CID 26468671
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 60837944
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenoxy)acetamide
CID 51247442
2-(1-aminocyclobutyl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 79852067
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 9266743
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methylamino)butanamide
CID 54924628
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide;hydrochloride
CID 119695826

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide (CID 47121348) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC1CCSc2ccc(F)cc21.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide?
The InChIKey is RNRAQHVDQHYKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS2/c16-10-3-4-14-12(8-10)13(5-7-20-14)17-15(18)9-11-2-1-6-19-11/h1-4,6,8,13H,5,7,9H2,(H,17,18).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide has a molecular weight of 307.41 g/mol, XLogP of 3.78, 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-thiophen-2-ylacetamide is sourced from PubChem (CID 47121348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).