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

C13H17NO4S — CID 60716580

IUPAC2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
SMILESCc1cccc(C(=O)NC2(C)CCS(=O)(=O)C2)c1O
InChIInChI=1S/C13H17NO4S/c1-9-4-3-5-10(11(9)15)12(16)14-13(2)6-7-19(17,18)8-13/h3-5,15H,6-8H2,1-2H3,(H,14,16)
InChIKeyUOCCFGLWTDNJOT-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.01
Rot. Bonds2

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

2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide (PubChem CID 60716580) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
PubChem CID60716580
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
SMILESCc1cccc(C(=O)NC2(C)CCS(=O)(=O)C2)c1O
InChIInChI=1S/C13H17NO4S/c1-9-4-3-5-10(11(9)15)12(16)14-13(2)6-7-19(17,18)8-13/h3-5,15H,6-8H2,1-2H3,(H,14,16)
InChIKeyUOCCFGLWTDNJOT-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

1-N,2-N-bis[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzene-1,2-dicarboxamide
CID 2362502
2-hydroxy-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716599
N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-indole-4-carboxamide
CID 61275040
2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 107358572
3-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60718307
4-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 103951728
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide
CID 60716553
3-(2,3-dimethylphenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 47024244
N-(3-methyl-1,1-dioxothiolan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214741
3-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,3-dicarboxamide
CID 43057320
2-bromo-N-(3-methyl-1,1-dioxothiolan-3-yl)furan-3-carboxamide
CID 106853081
[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7569084

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide (CID 60716580) is 2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide is Cc1cccc(C(=O)NC2(C)CCS(=O)(=O)C2)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is UOCCFGLWTDNJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9-4-3-5-10(11(9)15)12(16)14-13(2)6-7-19(17,18)8-13/h3-5,15H,6-8H2,1-2H3,(H,14,16).
What are the key properties of 2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide?
2-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 2-hydroxy-3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 60716580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).