N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide

C18H28N2O5S2 — CID 24686963

IUPACN-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H28N2O5S2/c1-6-20(10-17(21)19-16-7-8-26(22,23)11-16)27(24,25)18-14(4)12(2)9-13(3)15(18)5/h9,16H,6-8,10-11H2,1-5H3,(H,19,21)
InChIKeyVSNATHWFQDGDAD-UHFFFAOYSA-N
MW416.57 g/mol
LogP1.23
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide (PubChem CID 24686963) has the molecular formula C18H28N2O5S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
PubChem CID24686963
Molecular FormulaC18H28N2O5S2
Molecular Weight416.57 g/mol
Exact Mass416.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H28N2O5S2/c1-6-20(10-17(21)19-16-7-8-26(22,23)11-16)27(24,25)18-14(4)12(2)9-13(3)15(18)5/h9,16H,6-8,10-11H2,1-5H3,(H,19,21)
InChIKeyVSNATHWFQDGDAD-UHFFFAOYSA-N
XLogP1.23
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 4791129
2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4835550
N-(1,1-dioxothiolan-3-yl)-2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 5008392
2,3,5,6-tetramethyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 852267
N-(1,1-dioxothiolan-3-yl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 3918084
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18206076
2-[(2,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3949457
4-(2,3,5,6-Tetramethylphenyl)sulfonylpiperazin-2-one
CID 4882689
(E)-3-[3-(dimethylsulfamoyl)phenyl]-N-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]prop-2-enamide
CID 51003606
N-(3-(3-(isobutylsulfonyl)azetidin-1-yl)-3-oxopropyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 72719000
Methyl 2-((1-(3-(2,3,5,6-tetramethylphenylsulfonamido)propanoyl)pyrrolidin-3-yl)thio)acetate
CID 86264262
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 42912913

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide (CID 24686963) is N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide is CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide?
The InChIKey is VSNATHWFQDGDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S2/c1-6-20(10-17(21)19-16-7-8-26(22,23)11-16)27(24,25)18-14(4)12(2)9-13(3)15(18)5/h9,16H,6-8,10-11H2,1-5H3,(H,19,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide has a molecular weight of 416.57 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 24686963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).