4-hydroxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide

C14H20N2O2S — CID 103957052

IUPAC4-hydroxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide
SMILESCc1cc(C(=O)NCCN2CCSCC2)ccc1O
InChIInChI=1S/C14H20N2O2S/c1-11-10-12(2-3-13(11)17)14(18)15-4-5-16-6-8-19-9-7-16/h2-3,10,17H,4-9H2,1H3,(H,15,18)
InChIKeyGDFPAQZLUPMQKM-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.48
Rot. Bonds4

About 4-hydroxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide

4-hydroxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide (PubChem CID 103957052) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide
PubChem CID103957052
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name4-hydroxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide
SMILESCc1cc(C(=O)NCCN2CCSCC2)ccc1O
InChIInChI=1S/C14H20N2O2S/c1-11-10-12(2-3-13(11)17)14(18)15-4-5-16-6-8-19-9-7-16/h2-3,10,17H,4-9H2,1H3,(H,15,18)
InChIKeyGDFPAQZLUPMQKM-UHFFFAOYSA-N
XLogP1.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide (CID 103957052) is 4-hydroxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide is Cc1cc(C(=O)NCCN2CCSCC2)ccc1O.
What is the InChIKey of 4-hydroxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide?
The InChIKey is GDFPAQZLUPMQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11-10-12(2-3-13(11)17)14(18)15-4-5-16-6-8-19-9-7-16/h2-3,10,17H,4-9H2,1H3,(H,15,18).
What are the key properties of 4-hydroxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide?
4-hydroxy-3-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide has a molecular weight of 280.39 g/mol, XLogP of 1.48, 4 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-(2-thiomorpholin-4-ylethyl)benzamide is sourced from PubChem (CID 103957052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).