2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide

C12H15NO3S — CID 96525480

IUPAC2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide
SMILESCc1ccc(O)c(C(=O)N[C@@H]2CC[S@](=O)C2)c1
InChIInChI=1S/C12H15NO3S/c1-8-2-3-11(14)10(6-8)12(15)13-9-4-5-17(16)7-9/h2-3,6,9,14H,4-5,7H2,1H3,(H,13,15)/t9-,17+/m1/s1
InChIKeyORKLPVXUXWDVIQ-XLFHBGCDSA-N
MW253.32 g/mol
LogP0.95
Rot. Bonds2

About 2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide

2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide (PubChem CID 96525480) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide
PubChem CID96525480
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide
SMILESCc1ccc(O)c(C(=O)N[C@@H]2CC[S@](=O)C2)c1
InChIInChI=1S/C12H15NO3S/c1-8-2-3-11(14)10(6-8)12(15)13-9-4-5-17(16)7-9/h2-3,6,9,14H,4-5,7H2,1H3,(H,13,15)/t9-,17+/m1/s1
InChIKeyORKLPVXUXWDVIQ-XLFHBGCDSA-N
XLogP0.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide
CID 115944312
2-bromo-5-methyl-N-(1-oxothian-4-yl)benzamide
CID 104580819
N-[4-(ethylamino)cyclohexyl]-2-hydroxy-5-methylbenzamide
CID 43653300
2-hydroxy-5-methyl-N-(oxolan-3-yl)benzamide
CID 80712573
N-(2,3-dihydro-1H-inden-2-yl)-2-hydroxy-5-methylbenzamide
CID 104693636
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide
CID 43594423
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide
CID 43420144
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801
N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
2-hydroxy-5-methyl-N-[(8R)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide
CID 5276289
2-hydroxy-5-methyl-N-[(8S)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide
CID 5276297
2-hydroxy-N-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methylbenzamide
CID 95616399

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide (CID 96525480) is 2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide is Cc1ccc(O)c(C(=O)N[C@@H]2CC[S@](=O)C2)c1.
What is the InChIKey of 2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide?
The InChIKey is ORKLPVXUXWDVIQ-XLFHBGCDSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-8-2-3-11(14)10(6-8)12(15)13-9-4-5-17(16)7-9/h2-3,6,9,14H,4-5,7H2,1H3,(H,13,15)/t9-,17+/m1/s1.
What are the key properties of 2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide?
2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide has a molecular weight of 253.32 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide is sourced from PubChem (CID 96525480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).