N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide

C16H23NO3S — CID 110761487

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide
SMILESCCN(C(=O)c1c(C)cc(C)cc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H23NO3S/c1-5-17(14-6-7-21(19,20)10-14)16(18)15-12(3)8-11(2)9-13(15)4/h8-9,14H,5-7,10H2,1-4H3
InChIKeyZFUNOZSVFNHFCA-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.26
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide (PubChem CID 110761487) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide
PubChem CID110761487
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide
SMILESCCN(C(=O)c1c(C)cc(C)cc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H23NO3S/c1-5-17(14-6-7-21(19,20)10-14)16(18)15-12(3)8-11(2)9-13(15)4/h8-9,14H,5-7,10H2,1-4H3
InChIKeyZFUNOZSVFNHFCA-UHFFFAOYSA-N
XLogP2.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-methyl-5-methylsulfonylbenzamide
CID 8834152
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
3-(3,5-dimethylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethylthiourea
CID 8681140
2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109331915
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide
CID 110762572
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901995
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63859215
5-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-3-carboxamide
CID 60739077
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948953

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide (CID 110761487) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide is CCN(C(=O)c1c(C)cc(C)cc1C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide?
The InChIKey is ZFUNOZSVFNHFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-5-17(14-6-7-21(19,20)10-14)16(18)15-12(3)8-11(2)9-13(15)4/h8-9,14H,5-7,10H2,1-4H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide has a molecular weight of 309.43 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide is sourced from PubChem (CID 110761487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).