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

C17H22N2O4S — CID 109138204

IUPAC2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CC1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N2O4S/c1-2-11-5-3-4-6-15(11)19-17(21)14-9-13(14)16(20)18-12-7-8-24(22,23)10-12/h3-6,12-14H,2,7-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyVYUKNBRJXHLTNC-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.13
Rot. Bonds5

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

2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109138204) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109138204
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CC1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N2O4S/c1-2-11-5-3-4-6-15(11)19-17(21)14-9-13(14)16(20)18-12-7-8-24(22,23)10-12/h3-6,12-14H,2,7-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyVYUKNBRJXHLTNC-UHFFFAOYSA-N
XLogP1.13
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclopentyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132081
1-N-(2,3-dichlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138264
N-(1,1-dioxothiolan-3-yl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108964648
1-N-(2,6-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138202
1-N-(2,5-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138199
1-N-(5-chloro-2-methoxyphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138227
2-N-(2-ethylphenyl)-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109140512
1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109138178
1-N-(2-tert-butylphenyl)-2-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141992
2-N-cyclopropyl-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130924
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748
1-(1,1-dioxothiolan-3-yl)-3-(2-hydroxyphenyl)urea
CID 102566980

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109138204) is 2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide is CCc1ccccc1NC(=O)C1CC1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is VYUKNBRJXHLTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-2-11-5-3-4-6-15(11)19-17(21)14-9-13(14)16(20)18-12-7-8-24(22,23)10-12/h3-6,12-14H,2,7-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 350.44 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109138204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).