2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide

C17H15F2NOS2 — CID 18198271

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NC1CCSc2ccccc21
InChIInChI=1S/C17H15F2NOS2/c18-13-6-5-11(9-14(13)19)23-10-17(21)20-15-7-8-22-16-4-2-1-3-12(15)16/h1-6,9,15H,7-8,10H2,(H,20,21)
InChIKeyWUUSNLOPAJEZEX-UHFFFAOYSA-N
MW351.44 g/mol
LogP4.41
Rot. Bonds4

About 2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide

2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide (PubChem CID 18198271) has the molecular formula C17H15F2NOS2 and a molecular weight of 351.44 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide
PubChem CID18198271
Molecular FormulaC17H15F2NOS2
Molecular Weight351.44 g/mol
Exact Mass351.06
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NC1CCSc2ccccc21
InChIInChI=1S/C17H15F2NOS2/c18-13-6-5-11(9-14(13)19)23-10-17(21)20-15-7-8-22-16-4-2-1-3-12(15)16/h1-6,9,15H,7-8,10H2,(H,20,21)
InChIKeyWUUSNLOPAJEZEX-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide (CID 18198271) is 2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide is O=C(CSc1ccc(F)c(F)c1)NC1CCSc2ccccc21.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The InChIKey is WUUSNLOPAJEZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NOS2/c18-13-6-5-11(9-14(13)19)23-10-17(21)20-15-7-8-22-16-4-2-1-3-12(15)16/h1-6,9,15H,7-8,10H2,(H,20,21).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide has a molecular weight of 351.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide is sourced from PubChem (CID 18198271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).