(2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane

C23H28N4O3S — CID 143392449

IUPAC(2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane
SMILESC=Cc1cnc(NC(=O)/C(=N/O[C@@H]2CCOC2)c2ccc(SC3CC3)cc2)cn1.CC
InChIInChI=1S/C21H22N4O3S.C2H6/c1-2-15-11-23-19(12-22-15)24-21(26)20(25-28-16-9-10-27-13-16)14-3-5-17(6-4-14)29-18-7-8-18;1-2/h2-6,11-12,16,18H,1,7-10,13H2,(H,23,24,26);1-2H3/b25-20+;/t16-;/m1./s1
InChIKeyCKAQWIKEHTVKQE-DTWAKOFFSA-N
MW440.57 g/mol
LogP4.55
Rot. Bonds8

About (2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane

(2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane (PubChem CID 143392449) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is (2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane.

Molecular Properties

Compound Name(2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane
PubChem CID143392449
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name(2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane
SMILESC=Cc1cnc(NC(=O)/C(=N/O[C@@H]2CCOC2)c2ccc(SC3CC3)cc2)cn1.CC
InChIInChI=1S/C21H22N4O3S.C2H6/c1-2-15-11-23-19(12-22-15)24-21(26)20(25-28-16-9-10-27-13-16)14-3-5-17(6-4-14)29-18-7-8-18;1-2/h2-6,11-12,16,18H,1,7-10,13H2,(H,23,24,26);1-2H3/b25-20+;/t16-;/m1./s1
InChIKeyCKAQWIKEHTVKQE-DTWAKOFFSA-N
XLogP4.55
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane with MolForge

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

Launch Full Analysis

Related Compounds

(2E)-2-(4-cyclopropylsulfanylphenyl)-N-(6-nitroso-1,3-benzothiazol-3-ium-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 143392235
methyl (2S)-4-[[2-[[(2E)-2-(4-cyclopropylsulfanylphenyl)-2-[(3R)-oxolan-3-yl]oxyiminoacetyl]amino]-1,3-thiazol-5-yl]methyl]-2-methylpiperazine-1-carboxylate
CID 143392516
2-[4-(3-methoxypropylsulfonyl)phenyl]-N-(5-methoxypyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 90810436
N-(5-bromo-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91242447
(2E)-2-[4-(2-aminoethylsulfanyl)phenyl]-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 143392777
N-[4-[C-[(5-fluoro-1,3-thiazol-2-yl)carbamoyl]-N-[(3R)-oxolan-3-yl]oxycarbonimidoyl]phenyl]cyclopropanecarboxamide
CID 90867288
(2E)-2-(3-chloro-4-methylsulfanylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(oxolan-3-yloxyimino)acetamide
CID 143392607
ethane;(2E)-N-(6-fluoro-5,6-dihydro-4H-1,3-thiazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyimino-2-(4-sulfanylphenyl)acetamide
CID 143392611
2-(4-cyclopropylsulfonylphenyl)-2-[(3R)-oxolan-3-yl]oxyimino-N-(1,3-thiazol-2-yl)acetamide
CID 90970313
(2Z)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(1-hydroxy-4-methoxybutyl)phenyl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 24998342
tert-butyl 4-[4-[C-[(5-fluoro-1,3-thiazol-2-yl)carbamoyl]-N-[(3R)-oxolan-3-yl]oxycarbonimidoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 91268223
2-(4-cyclobutylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 90984512

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane?
The IUPAC name of (2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane (CID 143392449) is (2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane.
What is the SMILES notation for (2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane?
The canonical SMILES for (2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane is C=Cc1cnc(NC(=O)/C(=N/O[C@@H]2CCOC2)c2ccc(SC3CC3)cc2)cn1.CC.
What is the InChIKey of (2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane?
The InChIKey is CKAQWIKEHTVKQE-DTWAKOFFSA-N. The full InChI is InChI=1S/C21H22N4O3S.C2H6/c1-2-15-11-23-19(12-22-15)24-21(26)20(25-28-16-9-10-27-13-16)14-3-5-17(6-4-14)29-18-7-8-18;1-2/h2-6,11-12,16,18H,1,7-10,13H2,(H,23,24,26);1-2H3/b25-20+;/t16-;/m1./s1.
What are the key properties of (2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane?
(2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane has a molecular weight of 440.57 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4-cyclopropylsulfanylphenyl)-N-(5-ethenylpyrazin-2-yl)-2-[(3R)-oxolan-3-yl]oxyiminoacetamide;ethane is sourced from PubChem (CID 143392449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).