N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide

C13H17NO5S — CID 60975569

IUPACN-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C13H17NO5S/c1-19-10-2-3-12(15)11(8-10)13(16)14-9-4-6-20(17,18)7-5-9/h2-3,8-9,15H,4-7H2,1H3,(H,14,16)
InChIKeyOFYHCNSIYXGFEE-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.71
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide

N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide (PubChem CID 60975569) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide
PubChem CID60975569
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC NameN-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NC2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C13H17NO5S/c1-19-10-2-3-12(15)11(8-10)13(16)14-9-4-6-20(17,18)7-5-9/h2-3,8-9,15H,4-7H2,1H3,(H,14,16)
InChIKeyOFYHCNSIYXGFEE-UHFFFAOYSA-N
XLogP0.71
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azepan-4-yl)-2-hydroxy-5-methoxybenzamide
CID 107172227
2-hydroxy-5-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60712481
2-hydroxy-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995573
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methoxybenzamide
CID 54943363
N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide
CID 63626426
2-hydroxy-5-methoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64668039
2-hydroxy-5-methoxy-N-(2-methylcyclohexyl)benzamide
CID 54943452
N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 114312002
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methoxybenzamide
CID 61150287
2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide
CID 43610298
N-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide
CID 94801529
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide (CID 60975569) is N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NC2CCS(=O)(=O)CC2)c1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is OFYHCNSIYXGFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-19-10-2-3-12(15)11(8-10)13(16)14-9-4-6-20(17,18)7-5-9/h2-3,8-9,15H,4-7H2,1H3,(H,14,16).
What are the key properties of N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide?
N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 299.35 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 60975569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).