N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide

C13H17NO4S — CID 43411195

IUPACN-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cc1O
InChIInChI=1S/C13H17NO4S/c1-9-3-4-10(7-12(9)15)13(16)14(2)11-5-6-19(17,18)8-11/h3-4,7,11,15H,5-6,8H2,1-2H3
InChIKeyUHDURTFFXPATHB-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.96
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide

N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide (PubChem CID 43411195) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
PubChem CID43411195
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cc1O
InChIInChI=1S/C13H17NO4S/c1-9-3-4-10(7-12(9)15)13(16)14(2)11-5-6-19(17,18)8-11/h3-4,7,11,15H,5-6,8H2,1-2H3
InChIKeyUHDURTFFXPATHB-UHFFFAOYSA-N
XLogP0.96
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide with MolForge

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Related Compounds

1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
N-(1,1-dioxothiolan-3-yl)-N,2,4,5-tetramethylbenzamide
CID 110763131
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 7259618
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 61232203
3-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259724
2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
CID 43410879
5-bromo-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylbenzamide
CID 65307183
N-(1,1-dioxothiolan-3-yl)-N,2-dimethyl-1,3-benzoxazole-6-carboxamide
CID 110765232
4-acetamido-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 26009067
3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 43296951

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide (CID 43411195) is N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cc1O.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide?
The InChIKey is UHDURTFFXPATHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9-3-4-10(7-12(9)15)13(16)14(2)11-5-6-19(17,18)8-11/h3-4,7,11,15H,5-6,8H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide?
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide has a molecular weight of 283.35 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide is sourced from PubChem (CID 43411195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).