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

C13H17NO4S — CID 60716599

IUPAC2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2(C)CCS(=O)(=O)C2)c(O)c1
InChIInChI=1S/C13H17NO4S/c1-9-3-4-10(11(15)7-9)12(16)14-13(2)5-6-19(17,18)8-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyMHTTVTMLVGXWJZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.01
Rot. Bonds2

About 2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide

2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide (PubChem CID 60716599) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
PubChem CID60716599
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2(C)CCS(=O)(=O)C2)c(O)c1
InChIInChI=1S/C13H17NO4S/c1-9-3-4-10(11(15)7-9)12(16)14-13(2)5-6-19(17,18)8-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyMHTTVTMLVGXWJZ-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

2-hydroxy-4-methyl-N-(1-methylcyclohexyl)benzamide
CID 61216850
1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 103951728
2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716580
2-chloro-4-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 78790417
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
4-bromo-2-methoxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 78987530
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771100
2-chloro-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-nitrobenzamide
CID 8571499
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
2,4-dichloro-5-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 47114810
2-bromo-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-3-carboxamide
CID 106853081

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of 2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide (CID 60716599) is 2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide is Cc1ccc(C(=O)NC2(C)CCS(=O)(=O)C2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is MHTTVTMLVGXWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9-3-4-10(11(15)7-9)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 2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
2-hydroxy-4-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 2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 60716599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).