N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide

C13H16Cl2N2O2S — CID 107748372

IUPACN-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide
SMILESCC1OCCC1SCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2S/c1-7-11(2-3-19-7)20-6-12(18)17-13-9(14)4-8(16)5-10(13)15/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,18)
InChIKeyVIHPZBVOEQNTSR-UHFFFAOYSA-N
MW335.26 g/mol
LogP3.42
Rot. Bonds4

About N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide

N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide (PubChem CID 107748372) has the molecular formula C13H16Cl2N2O2S and a molecular weight of 335.26 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide
PubChem CID107748372
Molecular FormulaC13H16Cl2N2O2S
Molecular Weight335.26 g/mol
Exact Mass334.03
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide
SMILESCC1OCCC1SCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2S/c1-7-11(2-3-19-7)20-6-12(18)17-13-9(14)4-8(16)5-10(13)15/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,18)
InChIKeyVIHPZBVOEQNTSR-UHFFFAOYSA-N
XLogP3.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide
CID 107748298
N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide
CID 60884915
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide
CID 97326710
1-(2,4-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752435
N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107748281
1-(3-chloro-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752386
N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668030
3-(2-methyloxolan-3-yl)sulfanylpropanehydrazide
CID 107760881
N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327
1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752409
N-(4-amino-2,6-dichlorophenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
CID 62861622

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide (CID 107748372) is N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide is CC1OCCC1SCC(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide?
The InChIKey is VIHPZBVOEQNTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2S/c1-7-11(2-3-19-7)20-6-12(18)17-13-9(14)4-8(16)5-10(13)15/h4-5,7,11H,2-3,6,16H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide?
N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide has a molecular weight of 335.26 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide is sourced from PubChem (CID 107748372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).