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

C16H20N2O5S — CID 113165079

IUPAC2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C(C)=O)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C16H20N2O5S/c1-11(19)13-4-3-5-14(8-13)17-16(21)9-18(12(2)20)15-6-7-24(22,23)10-15/h3-5,8,15H,6-7,9-10H2,1-2H3,(H,17,21)
InChIKeyNGOAULVRVQZOFE-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.86
Rot. Bonds5

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

2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide (PubChem CID 113165079) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide
PubChem CID113165079
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C(C)=O)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C16H20N2O5S/c1-11(19)13-4-3-5-14(8-13)17-16(21)9-18(12(2)20)15-6-7-24(22,23)10-15/h3-5,8,15H,6-7,9-10H2,1-2H3,(H,17,21)
InChIKeyNGOAULVRVQZOFE-UHFFFAOYSA-N
XLogP0.86
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113165036
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,5-dimethylphenyl)acetamide
CID 113165037
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113165059
2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 78821733
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
N-(3-acetylphenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 110861049
methyl 3-[[(1,1-dioxothiolan-3-yl)-ethylcarbamoyl]amino]benzoate
CID 108989837
2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
CID 113158461
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113165044
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 51182938
N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 51321300

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide?
The IUPAC name of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide (CID 113165079) is 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide is CC(=O)c1cccc(NC(=O)CN(C(C)=O)C2CCS(=O)(=O)C2)c1.
What is the InChIKey of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide?
The InChIKey is NGOAULVRVQZOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-11(19)13-4-3-5-14(8-13)17-16(21)9-18(12(2)20)15-6-7-24(22,23)10-15/h3-5,8,15H,6-7,9-10H2,1-2H3,(H,17,21).
What are the key properties of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide?
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide has a molecular weight of 352.41 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide is sourced from PubChem (CID 113165079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).