2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide

C19H26N2O4S — CID 109138846

IUPAC2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)Nc1cccc(C)c1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H26N2O4S/c1-4-21(14-8-9-26(24,25)11-14)19(23)16-10-15(16)18(22)20-17-7-5-6-12(2)13(17)3/h5-7,14-16H,4,8-11H2,1-3H3,(H,20,22)
InChIKeyZPLQPWFBVVJHHL-UHFFFAOYSA-N
MW378.49 g/mol
LogP1.91
Rot. Bonds5

About 2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide

2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide (PubChem CID 109138846) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide
PubChem CID109138846
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)Nc1cccc(C)c1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H26N2O4S/c1-4-21(14-8-9-26(24,25)11-14)19(23)16-10-15(16)18(22)20-17-7-5-6-12(2)13(17)3/h5-7,14-16H,4,8-11H2,1-3H3,(H,20,22)
InChIKeyZPLQPWFBVVJHHL-UHFFFAOYSA-N
XLogP1.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide with MolForge

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Related Compounds

2-N-(2,4-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109138841
1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138836
1-N-(2,3-dimethylphenyl)-1-N'-(1,1-dioxothiolan-3-yl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108978598
1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138291
1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109138824
(3S)-N-(2,3-dimethylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 9069926
1-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-3-(2-methylphenyl)thiourea
CID 8681117
N-(3-chloro-2-methylphenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108950154
6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 109160161
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylcyclopropane-1-carboxamide
CID 110675464
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)acetamide
CID 113165028
1-N-(3-chloro-2-methylphenyl)-1-N'-(1,1-dioxothiolan-3-yl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108978611

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide (CID 109138846) is 2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide is CCN(C(=O)C1CC1C(=O)Nc1cccc(C)c1C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide?
The InChIKey is ZPLQPWFBVVJHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-4-21(14-8-9-26(24,25)11-14)19(23)16-10-15(16)18(22)20-17-7-5-6-12(2)13(17)3/h5-7,14-16H,4,8-11H2,1-3H3,(H,20,22).
What are the key properties of 2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide?
2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide has a molecular weight of 378.49 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109138846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).