3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide

C18H28N2O5S2 — CID 97028486

IUPAC3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide
SMILESCCN(C(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H28N2O5S2/c1-5-19(6-2)27(24,25)17-12-15(9-8-14(17)4)18(21)20(7-3)16-10-11-26(22,23)13-16/h8-9,12,16H,5-7,10-11,13H2,1-4H3/t16-/m1/s1
InChIKeyZRBFQFKHZVKUJP-MRXNPFEDSA-N
MW416.57 g/mol
LogP1.67
Rot. Bonds7

About 3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide

3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide (PubChem CID 97028486) has the molecular formula C18H28N2O5S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide
PubChem CID97028486
Molecular FormulaC18H28N2O5S2
Molecular Weight416.57 g/mol
Exact Mass416.14
IUPAC Name3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide
SMILESCCN(C(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H28N2O5S2/c1-5-19(6-2)27(24,25)17-12-15(9-8-14(17)4)18(21)20(7-3)16-10-11-26(22,23)13-16/h8-9,12,16H,5-7,10-11,13H2,1-4H3/t16-/m1/s1
InChIKeyZRBFQFKHZVKUJP-MRXNPFEDSA-N
XLogP1.67
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-3-(diethylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
CID 55507710
3-[benzyl(ethyl)sulfamoyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-methoxybenzamide
CID 167908879
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
3-(diethylsulfamoyl)-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825801
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
N-(1,1-dioxothiolan-3-yl)-4-methyl-3-morpholin-4-ylsulfonyl-N-propylbenzamide
CID 55330320
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-methyl-5-methylsulfonylbenzamide
CID 8834152
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzamide
CID 7259541
3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-fluorobenzamide
CID 61112481
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
3-[butyl-[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-4-methylbenzoic acid
CID 129360457
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide
CID 110761487

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide (CID 97028486) is 3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide is CCN(C(=O)c1ccc(C)c(S(=O)(=O)N(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide?
The InChIKey is ZRBFQFKHZVKUJP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N2O5S2/c1-5-19(6-2)27(24,25)17-12-15(9-8-14(17)4)18(21)20(7-3)16-10-11-26(22,23)13-16/h8-9,12,16H,5-7,10-11,13H2,1-4H3/t16-/m1/s1.
What are the key properties of 3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide?
3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide has a molecular weight of 416.57 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 97028486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).