2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide

C18H20N2O4S — CID 68882246

IUPAC2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide
SMILESCN(C(=O)C(O)SC(O)C(=O)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-19(13-9-5-3-6-10-13)15(21)17(23)25-18(24)16(22)20(2)14-11-7-4-8-12-14/h3-12,17-18,23-24H,1-2H3
InChIKeyQJHRAYKAGLDSBI-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.68
Rot. Bonds6

About 2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide

2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide (PubChem CID 68882246) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide
PubChem CID68882246
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide
SMILESCN(C(=O)C(O)SC(O)C(=O)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-19(13-9-5-3-6-10-13)15(21)17(23)25-18(24)16(22)20(2)14-11-7-4-8-12-14/h3-12,17-18,23-24H,1-2H3
InChIKeyQJHRAYKAGLDSBI-UHFFFAOYSA-N
XLogP1.68
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3,3-trifluoro-N-methyl-N-phenylpropanamide
CID 174784767
(2R)-N-methyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821073
2-butylsulfanyl-N-methyl-N-phenylpropanamide
CID 78762085
N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide
CID 59650840
2-ethyl-3-hydroxy-N-methyl-N-phenyl-5-phenylsulfanylpentanamide
CID 86107530
4-amino-N,2-dimethyl-N-phenyl-4-sulfanylidenebutanamide
CID 82116786
N-methyl-2-[methyl(methylsulfonyl)amino]-N,2-diphenylacetamide
CID 133224661
formic acid;methyl(phenyl)carbamic acid
CID 161284118
1,3-dimethyl-1-phenyl-3-sulfanylurea
CID 88793984
N-methyl-N-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 3450207
(2S)-2-amino-N,3,3-trimethyl-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 127265552
1-amino-N-methyl-N-phenylcyclopentane-1-carboxamide;hydrochloride
CID 119261831

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide?
The IUPAC name of 2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide (CID 68882246) is 2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide is CN(C(=O)C(O)SC(O)C(=O)N(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide?
The InChIKey is QJHRAYKAGLDSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-19(13-9-5-3-6-10-13)15(21)17(23)25-18(24)16(22)20(2)14-11-7-4-8-12-14/h3-12,17-18,23-24H,1-2H3.
What are the key properties of 2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide?
2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide has a molecular weight of 360.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide is sourced from PubChem (CID 68882246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).