N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide

C9H11F2NO2S2 — CID 103770128

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)NCC(O)C(F)F
InChIInChI=1S/C9H11F2NO2S2/c10-9(11)6(13)4-12-7(14)5-16-8-2-1-3-15-8/h1-3,6,9,13H,4-5H2,(H,12,14)
InChIKeyMVPRPLQTNJIZAA-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.58
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide

N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide (PubChem CID 103770128) has the molecular formula C9H11F2NO2S2 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide
PubChem CID103770128
Molecular FormulaC9H11F2NO2S2
Molecular Weight267.32 g/mol
Exact Mass267.02
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)NCC(O)C(F)F
InChIInChI=1S/C9H11F2NO2S2/c10-9(11)6(13)4-12-7(14)5-16-8-2-1-3-15-8/h1-3,6,9,13H,4-5H2,(H,12,14)
InChIKeyMVPRPLQTNJIZAA-UHFFFAOYSA-N
XLogP1.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide (CID 103770128) is N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide is O=C(CSc1cccs1)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is MVPRPLQTNJIZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2S2/c10-9(11)6(13)4-12-7(14)5-16-8-2-1-3-15-8/h1-3,6,9,13H,4-5H2,(H,12,14).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 267.32 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 103770128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).