2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide

C13H17NO3S — CID 103759085

IUPAC2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(O)cc2O)CCCS1
InChIInChI=1S/C13H17NO3S/c1-13(5-2-6-18-13)8-14-12(17)10-4-3-9(15)7-11(10)16/h3-4,7,15-16H,2,5-6,8H2,1H3,(H,14,17)
InChIKeyOPYHHTVQZBAYGQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.11
Rot. Bonds3

About 2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide

2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide (PubChem CID 103759085) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
PubChem CID103759085
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(O)cc2O)CCCS1
InChIInChI=1S/C13H17NO3S/c1-13(5-2-6-18-13)8-14-12(17)10-4-3-9(15)7-11(10)16/h3-4,7,15-16H,2,5-6,8H2,1H3,(H,14,17)
InChIKeyOPYHHTVQZBAYGQ-UHFFFAOYSA-N
XLogP2.11
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113355644
4-chloro-2-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80544557
3,5-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113347322
4-bromo-N-[(2-methylthiolan-2-yl)methyl]-2-sulfanylbenzamide
CID 107032909
2-amino-5-methyl-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80726929
2,4-dihydroxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 103742421
2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80725565
6-methyl-N-[(2-methylthiolan-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103757770
4-chloro-2-methoxy-N-[[(2S)-2-methylthiolan-2-yl]methyl]benzamide
CID 96541178
2,4-dihydroxy-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 103993294
2-amino-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide
CID 80743131
2-chloro-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide
CID 80524297

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The IUPAC name of 2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide (CID 103759085) is 2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide is CC1(CNC(=O)c2ccc(O)cc2O)CCCS1.
What is the InChIKey of 2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide?
The InChIKey is OPYHHTVQZBAYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-13(5-2-6-18-13)8-14-12(17)10-4-3-9(15)7-11(10)16/h3-4,7,15-16H,2,5-6,8H2,1H3,(H,14,17).
What are the key properties of 2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide?
2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide has a molecular weight of 267.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide is sourced from PubChem (CID 103759085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).