2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

C14H19F2NO2S — CID 61039903

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2S/c1-10(2)17(6-3-7-18)14(19)9-20-11-4-5-12(15)13(16)8-11/h4-5,8,10,18H,3,6-7,9H2,1-2H3
InChIKeyNBNVOXXDGVFXDS-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.68
Rot. Bonds7

About 2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (PubChem CID 61039903) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
PubChem CID61039903
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2S/c1-10(2)17(6-3-7-18)14(19)9-20-11-4-5-12(15)13(16)8-11/h4-5,8,10,18H,3,6-7,9H2,1-2H3
InChIKeyNBNVOXXDGVFXDS-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-N-propan-2-yl-2-pyridin-4-ylsulfanylacetamide
CID 54916285
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 54990911
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039056
2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107319095
2,3,4,5,6-pentafluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040258
2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61038556
3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54917139
4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 63186164
N-(3-bromopropyl)-2-(3,4-difluorophenyl)-N-propan-2-ylacetamide
CID 80662378
2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54917289
N-(3-hydroxypropyl)-N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 61039567
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (CID 61039903) is 2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is CC(C)N(CCCO)C(=O)CSc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The InChIKey is NBNVOXXDGVFXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-10(2)17(6-3-7-18)14(19)9-20-11-4-5-12(15)13(16)8-11/h4-5,8,10,18H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
2-(3,4-difluorophenyl)sulfanyl-N-(3-hydroxypropyl)-N-propan-2-ylacetamide has a molecular weight of 303.37 g/mol, XLogP of 2.68, 7 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-hydroxypropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 61039903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).