N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C20H20FNOS — CID 71898533

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(NC1CCSc2ccc(F)cc21)C1CCCc2ccccc21
InChIInChI=1S/C20H20FNOS/c21-14-8-9-19-17(12-14)18(10-11-24-19)22-20(23)16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,8-9,12,16,18H,3,5,7,10-11H2,(H,22,23)
InChIKeyNEBNEJMPSSGBDS-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.60
Rot. Bonds2

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 71898533) has the molecular formula C20H20FNOS and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID71898533
Molecular FormulaC20H20FNOS
Molecular Weight341.45 g/mol
Exact Mass341.12
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(NC1CCSc2ccc(F)cc21)C1CCCc2ccccc21
InChIInChI=1S/C20H20FNOS/c21-14-8-9-19-17(12-14)18(10-11-24-19)22-20(23)16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,8-9,12,16,18H,3,5,7,10-11H2,(H,22,23)
InChIKeyNEBNEJMPSSGBDS-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 71898533) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is O=C(NC1CCSc2ccc(F)cc21)C1CCCc2ccccc21.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is NEBNEJMPSSGBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNOS/c21-14-8-9-19-17(12-14)18(10-11-24-19)22-20(23)16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,8-9,12,16,18H,3,5,7,10-11H2,(H,22,23).
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 71898533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).