4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide

C13H17NO4S — CID 103951728

IUPAC4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
SMILESCc1cc(C(=O)NC2(C)CCS(=O)(=O)C2)ccc1O
InChIInChI=1S/C13H17NO4S/c1-9-7-10(3-4-11(9)15)12(16)14-13(2)5-6-19(17,18)8-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyDTIYVZQEPULQSX-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.01
Rot. Bonds2

About 4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide

4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide (PubChem CID 103951728) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
PubChem CID103951728
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
SMILESCc1cc(C(=O)NC2(C)CCS(=O)(=O)C2)ccc1O
InChIInChI=1S/C13H17NO4S/c1-9-7-10(3-4-11(9)15)12(16)14-13(2)5-6-19(17,18)8-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyDTIYVZQEPULQSX-UHFFFAOYSA-N
XLogP1.01
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydrazinyl-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 63211713
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716599
N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998184
3-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,3-dicarboxamide
CID 43057320
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-methylsulfanylbenzamide
CID 30415077
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
N-(3-methyl-1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712167
2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716580
3-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-nitrobenzamide
CID 62681284
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]furan-3-carboxamide
CID 30583271

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide (CID 103951728) is 4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide is Cc1cc(C(=O)NC2(C)CCS(=O)(=O)C2)ccc1O.
What is the InChIKey of 4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is DTIYVZQEPULQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9-7-10(3-4-11(9)15)12(16)14-13(2)5-6-19(17,18)8-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of 4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide has a molecular weight of 283.35 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 103951728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).