2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide

C12H15F2NO2S — CID 103919914

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
SMILESCC[C@H](CO)NC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO2S/c1-2-9(6-16)15-12(17)7-18-11-4-3-8(13)5-10(11)14/h3-5,9,16H,2,6-7H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyCBVHLBDNHIRIIJ-SECBINFHSA-N
MW275.32 g/mol
LogP1.94
Rot. Bonds6

About 2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide

2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide (PubChem CID 103919914) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
PubChem CID103919914
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
SMILESCC[C@H](CO)NC(=O)CSc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO2S/c1-2-9(6-16)15-12(17)7-18-11-4-3-8(13)5-10(11)14/h3-5,9,16H,2,6-7H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyCBVHLBDNHIRIIJ-SECBINFHSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103850779
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-3-methylpentanoic acid
CID 43241590
2-(2,5-dichlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390208
(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
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94805815
(2S)-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-4-methylpentanoic acid
CID 61155164
3-[[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]methyl]pentanoic acid
CID 81065977
2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide
CID 115767175
3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 93041484
ethyl N-[2-(2,4-difluorophenyl)sulfanylacetyl]carbamate
CID 8837223

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide (CID 103919914) is 2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide is CC[C@H](CO)NC(=O)CSc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
The InChIKey is CBVHLBDNHIRIIJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c1-2-9(6-16)15-12(17)7-18-11-4-3-8(13)5-10(11)14/h3-5,9,16H,2,6-7H2,1H3,(H,15,17)/t9-/m1/s1.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide?
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide has a molecular weight of 275.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 103919914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).