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

C18H24N2O4S — CID 109138178

IUPAC1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCCc1ccccc1)C1CC1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C18H24N2O4S/c21-17(19-9-4-7-13-5-2-1-3-6-13)15-11-16(15)18(22)20-14-8-10-25(23,24)12-14/h1-3,5-6,14-16H,4,7-12H2,(H,19,21)(H,20,22)
InChIKeyLYEDZDSJMFTABU-UHFFFAOYSA-N
MW364.47 g/mol
LogP0.67
Rot. Bonds7

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

1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109138178) 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)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
PubChem CID109138178
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCCc1ccccc1)C1CC1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C18H24N2O4S/c21-17(19-9-4-7-13-5-2-1-3-6-13)15-11-16(15)18(22)20-14-8-10-25(23,24)12-14/h1-3,5-6,14-16H,4,7-12H2,(H,19,21)(H,20,22)
InChIKeyLYEDZDSJMFTABU-UHFFFAOYSA-N
XLogP0.67
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109138824
1-N-(1,1-dioxothiolan-3-yl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135309
N-(1,1-dioxothiolan-3-yl)-3-[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111198625
1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137355
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
3-N-(1,1-dioxothiolan-3-yl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055261
1-(1,1-dioxothiolan-3-yl)-3-(3-phenylmethoxypropyl)urea
CID 51081517
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
2-N-(1,1-dioxothiolan-3-yl)-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138204
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-(3-phenylpropyl)guanidine
CID 111141123
N-(1,1-dioxothiolan-3-yl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109683
1-N-(2,6-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138202

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide (CID 109138178) is 1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide is O=C(NCCCc1ccccc1)C1CC1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is LYEDZDSJMFTABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c21-17(19-9-4-7-13-5-2-1-3-6-13)15-11-16(15)18(22)20-14-8-10-25(23,24)12-14/h1-3,5-6,14-16H,4,7-12H2,(H,19,21)(H,20,22).
What are the key properties of 1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 364.47 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1-dioxothiolan-3-yl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109138178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).