N-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide

C19H26N2O5S — CID 136961312

IUPACN-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide
SMILESCCC1(S(=O)(=O)c2cccc(C)c2)CCOC(/C(=N/O)NC(=O)C2CC2)C1
InChIInChI=1S/C19H26N2O5S/c1-3-19(27(24,25)15-6-4-5-13(2)11-15)9-10-26-16(12-19)17(21-23)20-18(22)14-7-8-14/h4-6,11,14,16,23H,3,7-10,12H2,1-2H3,(H,20,21,22)
InChIKeyTZIPXXSIBCPTNU-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.41
Rot. Bonds5

About N-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide

N-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide (PubChem CID 136961312) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is N-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide
PubChem CID136961312
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC NameN-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide
SMILESCCC1(S(=O)(=O)c2cccc(C)c2)CCOC(/C(=N/O)NC(=O)C2CC2)C1
InChIInChI=1S/C19H26N2O5S/c1-3-19(27(24,25)15-6-4-5-13(2)11-15)9-10-26-16(12-19)17(21-23)20-18(22)14-7-8-14/h4-6,11,14,16,23H,3,7-10,12H2,1-2H3,(H,20,21,22)
InChIKeyTZIPXXSIBCPTNU-UHFFFAOYSA-N
XLogP2.41
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide (CID 136961312) is N-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide is CCC1(S(=O)(=O)c2cccc(C)c2)CCOC(/C(=N/O)NC(=O)C2CC2)C1.
What is the InChIKey of N-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide?
The InChIKey is TZIPXXSIBCPTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-3-19(27(24,25)15-6-4-5-13(2)11-15)9-10-26-16(12-19)17(21-23)20-18(22)14-7-8-14/h4-6,11,14,16,23H,3,7-10,12H2,1-2H3,(H,20,21,22).
What are the key properties of N-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide?
N-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide has a molecular weight of 394.49 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-C-[4-ethyl-4-(3-methylphenyl)sulfonyloxan-2-yl]-N-hydroxycarbonimidoyl]cyclopropanecarboxamide is sourced from PubChem (CID 136961312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).