1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide

C18H24N2O4S — CID 109138836

IUPAC1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)Nc1cccc(C)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H24N2O4S/c1-3-20(14-7-8-25(23,24)11-14)18(22)16-10-15(16)17(21)19-13-6-4-5-12(2)9-13/h4-6,9,14-16H,3,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeyAHKBFGCBDLZJPX-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.61
Rot. Bonds5

About 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide

1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109138836) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109138836
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)Nc1cccc(C)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H24N2O4S/c1-3-20(14-7-8-25(23,24)11-14)18(22)16-10-15(16)17(21)19-13-6-4-5-12(2)9-13/h4-6,9,14-16H,3,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeyAHKBFGCBDLZJPX-UHFFFAOYSA-N
XLogP1.61
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2,4-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109138841
2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109138846
1-N,1-N-diethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139304
N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)oxamide
CID 108515684
1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109138824
(3S)-N-(3-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 8871781
N-(3-bromophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-ethyloxamide
CID 108526938
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-(3-methylphenyl)propanediamide
CID 108949205
N-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 112994246
2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138353
methyl 3-[[(1,1-dioxothiolan-3-yl)-ethylcarbamoyl]amino]benzoate
CID 108989837
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-[3-(trifluoromethyl)phenyl]urea
CID 108989832

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide (CID 109138836) is 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide is CCN(C(=O)C1CC1C(=O)Nc1cccc(C)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is AHKBFGCBDLZJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-3-20(14-7-8-25(23,24)11-14)18(22)16-10-15(16)17(21)19-13-6-4-5-12(2)9-13/h4-6,9,14-16H,3,7-8,10-11H2,1-2H3,(H,19,21).
What are the key properties of 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 364.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109138836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).