2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide

C13H17NO3S — CID 115944312

IUPAC2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCS(=O)CC2)c(O)c1
InChIInChI=1S/C13H17NO3S/c1-9-2-3-11(12(15)8-9)13(16)14-10-4-6-18(17)7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H,14,16)
InChIKeyXZSFCWFWYLVPFC-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.34
Rot. Bonds2

About 2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide

2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide (PubChem CID 115944312) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide
PubChem CID115944312
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCS(=O)CC2)c(O)c1
InChIInChI=1S/C13H17NO3S/c1-9-2-3-11(12(15)8-9)13(16)14-10-4-6-18(17)7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H,14,16)
InChIKeyXZSFCWFWYLVPFC-UHFFFAOYSA-N
XLogP1.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
2-bromo-5-methyl-N-(1-oxothian-4-yl)benzamide
CID 104580819
2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide
CID 96525480
N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide
CID 47114518
2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803
N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide
CID 78917550
N-(1,1-dioxothian-3-yl)-2-hydroxy-4-methylbenzamide
CID 63921974
2-hydroxy-4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 30095697
2,4-dibromo-N-(1-oxothian-4-yl)benzamide
CID 104580877
N-[3-(bromomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
CID 112752908
4-bromo-2-fluoro-N-(1-oxothian-4-yl)benzamide
CID 113347766
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide?
The IUPAC name of 2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide (CID 115944312) is 2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide is Cc1ccc(C(=O)NC2CCS(=O)CC2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide?
The InChIKey is XZSFCWFWYLVPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9-2-3-11(12(15)8-9)13(16)14-10-4-6-18(17)7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H,14,16).
What are the key properties of 2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide?
2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide has a molecular weight of 267.35 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide is sourced from PubChem (CID 115944312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).