2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

C17H24N2O4S — CID 113168480

IUPAC2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCC(=O)N(CC(=O)N(C)C1CCS(=O)(=O)C1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H24N2O4S/c1-12-7-13(2)9-16(8-12)19(14(3)20)10-17(21)18(4)15-5-6-24(22,23)11-15/h7-9,15H,5-6,10-11H2,1-4H3
InChIKeyHRUQYTIOLBWXRU-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.30
Rot. Bonds4

About 2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (PubChem CID 113168480) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
PubChem CID113168480
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCC(=O)N(CC(=O)N(C)C1CCS(=O)(=O)C1)c1cc(C)cc(C)c1
InChIInChI=1S/C17H24N2O4S/c1-12-7-13(2)9-16(8-12)19(14(3)20)10-17(21)18(4)15-5-6-24(22,23)11-15/h7-9,15H,5-6,10-11H2,1-4H3
InChIKeyHRUQYTIOLBWXRU-UHFFFAOYSA-N
XLogP1.30
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-5-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113171877
2-(N-acetyl-4-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113172044
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-methyl-N-propan-2-ylanilino)acetamide
CID 94820526
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113135537
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(2,4,6-trimethylanilino)propanamide
CID 109026631
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 51110428
2-[4-[acetyl(methyl)amino]phenyl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110674873
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,5-dimethylphenyl)acetamide
CID 113165037
3-(2,5-dimethylpyrrol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 110688958
2-[acetyl(prop-2-enyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113158526
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 40664534

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The IUPAC name of 2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CID 113168480) is 2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is CC(=O)N(CC(=O)N(C)C1CCS(=O)(=O)C1)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The InChIKey is HRUQYTIOLBWXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-12-7-13(2)9-16(8-12)19(14(3)20)10-17(21)18(4)15-5-6-24(22,23)11-15/h7-9,15H,5-6,10-11H2,1-4H3.
What are the key properties of 2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide has a molecular weight of 352.46 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,5-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is sourced from PubChem (CID 113168480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).