2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide

C18H18N4O3S — CID 78217807

IUPAC2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSC2NC(=O)C(C#N)C(c3ccco3)N2)cc1
InChIInChI=1S/C18H18N4O3S/c1-11-4-6-12(7-5-11)20-15(23)10-26-18-21-16(14-3-2-8-25-14)13(9-19)17(24)22-18/h2-8,13,16,18,21H,10H2,1H3,(H,20,23)(H,22,24)
InChIKeyWGLYSTRIVVSXNF-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.14
Rot. Bonds5

About 2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide

2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 78217807) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
PubChem CID78217807
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSC2NC(=O)C(C#N)C(c3ccco3)N2)cc1
InChIInChI=1S/C18H18N4O3S/c1-11-4-6-12(7-5-11)20-15(23)10-26-18-21-16(14-3-2-8-25-14)13(9-19)17(24)22-18/h2-8,13,16,18,21H,10H2,1H3,(H,20,23)(H,22,24)
InChIKeyWGLYSTRIVVSXNF-UHFFFAOYSA-N
XLogP2.14
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide with MolForge

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Related Compounds

2-[(5-cyano-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 73220456
2-[[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
CID 73220461
2-[[(4R)-5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1080546
2-[(5-cyano-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 84932483
N-(4-acetylphenyl)-2-[[6-[(4-methylphenyl)methyl]-5-oxo-1,2,4-triazinan-3-yl]sulfanyl]acetamide
CID 78458098
2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
CID 3841151
2-[[(4S)-5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 126145949
2-[[1-(4-methylphenyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 78262376
N-[4-amino-2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-5-yl]-4-methylbenzamide
CID 73329711
(4R,5R)-4-(furan-2-yl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile
CID 92529043
2-phenoxyethyl 2-[(5-cyano-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]acetate
CID 73328086
5-cyano-N-(2-fluorophenyl)-4-(furan-2-yl)-2-methyl-6-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide
CID 3317516

Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide (CID 78217807) is 2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSC2NC(=O)C(C#N)C(c3ccco3)N2)cc1.
What is the InChIKey of 2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide?
The InChIKey is WGLYSTRIVVSXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-11-4-6-12(7-5-11)20-15(23)10-26-18-21-16(14-3-2-8-25-14)13(9-19)17(24)22-18/h2-8,13,16,18,21H,10H2,1H3,(H,20,23)(H,22,24).
What are the key properties of 2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide?
2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyano-4-(furan-2-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 78217807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).