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

C18H15FN2O2S — CID 51247378

IUPAC2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
SMILESN#Cc1ccc(OCC(=O)NC2CCSc3ccc(F)cc32)cc1
InChIInChI=1S/C18H15FN2O2S/c19-13-3-6-17-15(9-13)16(7-8-24-17)21-18(22)11-23-14-4-1-12(10-20)2-5-14/h1-6,9,16H,7-8,11H2,(H,21,22)
InChIKeyVGHUCPNVMFABKP-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.43
Rot. Bonds4

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

2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide (PubChem CID 51247378) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
PubChem CID51247378
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
SMILESN#Cc1ccc(OCC(=O)NC2CCSc3ccc(F)cc32)cc1
InChIInChI=1S/C18H15FN2O2S/c19-13-3-6-17-15(9-13)16(7-8-24-17)21-18(22)11-23-14-4-1-12(10-20)2-5-14/h1-6,9,16H,7-8,11H2,(H,21,22)
InChIKeyVGHUCPNVMFABKP-UHFFFAOYSA-N
XLogP3.43
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenoxy)acetamide
CID 51247442
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-propan-2-yloxyacetamide
CID 47411869
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 41173523
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-nitrophenoxy)acetamide
CID 51247327
4-ethoxy-N-[2-[[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxoethyl]benzamide
CID 26958948
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)-3,3-dimethylbutanamide
CID 47121350
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methylamino)butanamide
CID 54924628
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
2-(4-chlorophenoxy)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
CID 7678588
2-(1-aminocyclobutyl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 79852067

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide (CID 51247378) is 2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide is N#Cc1ccc(OCC(=O)NC2CCSc3ccc(F)cc32)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The InChIKey is VGHUCPNVMFABKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c19-13-3-6-17-15(9-13)16(7-8-24-17)21-18(22)11-23-14-4-1-12(10-20)2-5-14/h1-6,9,16H,7-8,11H2,(H,21,22).
What are the key properties of 2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide?
2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide is sourced from PubChem (CID 51247378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).