2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide

C17H24N2O4S — CID 113165044

IUPAC2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H24N2O4S/c1-12(2)15-6-4-5-7-16(15)18-17(21)10-19(13(3)20)14-8-9-24(22,23)11-14/h4-7,12,14H,8-11H2,1-3H3,(H,18,21)
InChIKeyRJEFBKPMXQFQKK-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.78
Rot. Bonds5

About 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide

2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 113165044) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID113165044
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H24N2O4S/c1-12(2)15-6-4-5-7-16(15)18-17(21)10-19(13(3)20)14-8-9-24(22,23)11-14/h4-7,12,14H,8-11H2,1-3H3,(H,18,21)
InChIKeyRJEFBKPMXQFQKK-UHFFFAOYSA-N
XLogP1.78
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113121662
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)acetamide
CID 113165028
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide
CID 113165040
2-[acetyl(cyclohexyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113159511
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-(2-propan-2-ylphenyl)propanediamide
CID 108949220
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide
CID 113165079
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)propanamide
CID 113121646
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 18191491
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9114988
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,5-dimethylphenyl)acetamide
CID 113165037
(3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide
CID 39965936
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113165036

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide (CID 113165044) is 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1C(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is RJEFBKPMXQFQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-12(2)15-6-4-5-7-16(15)18-17(21)10-19(13(3)20)14-8-9-24(22,23)11-14/h4-7,12,14H,8-11H2,1-3H3,(H,18,21).
What are the key properties of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide?
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113165044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).