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

C19H26N2O4S — CID 109138353

IUPAC2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)N(C)C1CCS(=O)(=O)C1)c1cccc(C)c1
InChIInChI=1S/C19H26N2O4S/c1-4-21(14-7-5-6-13(2)10-14)19(23)17-11-16(17)18(22)20(3)15-8-9-26(24,25)12-15/h5-7,10,15-17H,4,8-9,11-12H2,1-3H3
InChIKeyVRLIVVAXKBDVKS-UHFFFAOYSA-N
MW378.49 g/mol
LogP1.63
Rot. Bonds5

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

2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109138353) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109138353
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)N(C)C1CCS(=O)(=O)C1)c1cccc(C)c1
InChIInChI=1S/C19H26N2O4S/c1-4-21(14-7-5-6-13(2)10-14)19(23)17-11-16(17)18(22)20(3)15-8-9-26(24,25)12-15/h5-7,10,15-17H,4,8-9,11-12H2,1-3H3
InChIKeyVRLIVVAXKBDVKS-UHFFFAOYSA-N
XLogP1.63
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109309347
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109351952
1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138836
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133808
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(N-ethyl-3-methylanilino)acetamide
CID 109003580
2-N-butyl-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131399
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-(3-methylphenyl)propanediamide
CID 108949205
2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134131
2-N-benzyl-1-N-(1,1-dioxothiolan-3-yl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109134992
1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138291
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(3-methylphenyl)sulfanylacetamide
CID 94214701

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide (CID 109138353) is 2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide is CCN(C(=O)C1CC1C(=O)N(C)C1CCS(=O)(=O)C1)c1cccc(C)c1.
What is the InChIKey of 2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is VRLIVVAXKBDVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-4-21(14-7-5-6-13(2)10-14)19(23)17-11-16(17)18(22)20(3)15-8-9-26(24,25)12-15/h5-7,10,15-17H,4,8-9,11-12H2,1-3H3.
What are the key properties of 2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 378.49 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 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-ethyl-2-N-methyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109138353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).