N'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide

C17H21ClN2O3S — CID 166211691

IUPACN'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide
SMILESCS(=O)C1(CNC(=O)C(=O)NC2CC(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C17H21ClN2O3S/c1-24(23)17(6-7-17)10-19-15(21)16(22)20-14-8-12(9-14)11-2-4-13(18)5-3-11/h2-5,12,14H,6-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyQVJCGBNDMFYIOL-UHFFFAOYSA-N
MW368.89 g/mol
LogP1.73
Rot. Bonds5

About N'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide

N'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide (PubChem CID 166211691) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is N'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide
PubChem CID166211691
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC NameN'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide
SMILESCS(=O)C1(CNC(=O)C(=O)NC2CC(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C17H21ClN2O3S/c1-24(23)17(6-7-17)10-19-15(21)16(22)20-14-8-12(9-14)11-2-4-13(18)5-3-11/h2-5,12,14H,6-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyQVJCGBNDMFYIOL-UHFFFAOYSA-N
XLogP1.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide?
The IUPAC name of N'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide (CID 166211691) is N'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide.
What is the SMILES notation for N'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide?
The canonical SMILES for N'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide is CS(=O)C1(CNC(=O)C(=O)NC2CC(c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of N'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide?
The InChIKey is QVJCGBNDMFYIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-24(23)17(6-7-17)10-19-15(21)16(22)20-14-8-12(9-14)11-2-4-13(18)5-3-11/h2-5,12,14H,6-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide?
N'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide has a molecular weight of 368.89 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-chlorophenyl)cyclobutyl]-N-[(1-methylsulfinylcyclopropyl)methyl]oxamide is sourced from PubChem (CID 166211691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).