2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide

C10H11F2NOS — CID 60661743

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C10H11F2NOS/c1-2-13-10(14)6-15-9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyWWEMSXOFTMEPLW-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.19
Rot. Bonds4

About 2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide

2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide (PubChem CID 60661743) has the molecular formula C10H11F2NOS and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
PubChem CID60661743
Molecular FormulaC10H11F2NOS
Molecular Weight231.27 g/mol
Exact Mass231.05
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C10H11F2NOS/c1-2-13-10(14)6-15-9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyWWEMSXOFTMEPLW-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]sulfanylacetamide
CID 114234790
2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxypentyl)acetamide
CID 115700812
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914
2-(2,4-difluorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 27640774
3-[[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]methyl]pentanoic acid
CID 81065977
ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate
CID 8837223
(2S)-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-4-methylpentanoic acid
CID 61155164
2-(2,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66180289
2-(2,4-difluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724718
methyl 4-[[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]methyl]benzoate
CID 9046148
(2S)-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-4-hydroxybutanoic acid
CID 107821920
(2R)-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 103926709

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide (CID 60661743) is 2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide is CCNC(=O)CSc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide?
The InChIKey is WWEMSXOFTMEPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NOS/c1-2-13-10(14)6-15-9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide?
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide has a molecular weight of 231.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide is sourced from PubChem (CID 60661743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).