N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide

C13H16FNO2S — CID 55171404

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)NCC(O)C1CC1
InChIInChI=1S/C13H16FNO2S/c14-10-3-1-2-4-12(10)18-8-13(17)15-7-11(16)9-5-6-9/h1-4,9,11,16H,5-8H2,(H,15,17)
InChIKeyXHAAXIBRZAFMPN-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.80
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 55171404) has the molecular formula C13H16FNO2S and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID55171404
Molecular FormulaC13H16FNO2S
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)NCC(O)C1CC1
InChIInChI=1S/C13H16FNO2S/c14-10-3-1-2-4-12(10)18-8-13(17)15-7-11(16)9-5-6-9/h1-4,9,11,16H,5-8H2,(H,15,17)
InChIKeyXHAAXIBRZAFMPN-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 71787191
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CID 71787594
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CID 49739142
CID 49739142
CID 52992759
CID 52992759
CID 71787593
CID 71787593
CID 95984351
CID 95984351
CID 96349889
CID 96349889
CID 49739144
CID 49739144
CID 71782115
CID 71782115
CID 593020
CID 593020
CID 11817903
CID 11817903
CID 226007
CID 226007

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide (CID 55171404) is N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide is O=C(CSc1ccccc1F)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is XHAAXIBRZAFMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2S/c14-10-3-1-2-4-12(10)18-8-13(17)15-7-11(16)9-5-6-9/h1-4,9,11,16H,5-8H2,(H,15,17).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 269.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 55171404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).