N-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide

C14H19NO4S — CID 94801529

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide
SMILESCC(C)c1ccc(O)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H19NO4S/c1-9(2)10-3-4-13(16)12(7-10)14(17)15-11-5-6-20(18,19)8-11/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyJYWIMURMABQXPS-LLVKDONJSA-N
MW297.38 g/mol
LogP1.43
Rot. Bonds3

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide (PubChem CID 94801529) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide
PubChem CID94801529
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide
SMILESCC(C)c1ccc(O)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C14H19NO4S/c1-9(2)10-3-4-13(16)12(7-10)14(17)15-11-5-6-20(18,19)8-11/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyJYWIMURMABQXPS-LLVKDONJSA-N
XLogP1.43
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-methoxy-5-propan-2-ylbenzamide
CID 110761451
N-(1,1-dioxothian-3-yl)-2,5-dihydroxybenzamide
CID 107723081
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-4-methylbenzamide
CID 43176544
N-(1,1-dioxothian-3-yl)-2-hydroxy-5-iodobenzamide
CID 103710763
4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide
CID 43176547
N-(1,1-dioxothian-4-yl)-2-hydroxy-5-methoxybenzamide
CID 60975569
N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
CID 103749000
N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159362
N-cyclopentyl-2-hydroxy-4-propan-2-ylbenzamide
CID 47268168
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
2-amino-N-(1,1-dioxothiolan-3-yl)-5-methylbenzamide
CID 62073959
N-(1,1-dioxothiolan-3-yl)-2-oxo-4-(4-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide
CID 110332453

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide (CID 94801529) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide is CC(C)c1ccc(O)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide?
The InChIKey is JYWIMURMABQXPS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-9(2)10-3-4-13(16)12(7-10)14(17)15-11-5-6-20(18,19)8-11/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H,15,17)/t11-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide has a molecular weight of 297.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-hydroxy-5-propan-2-ylbenzamide is sourced from PubChem (CID 94801529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).