benzene;2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-methylacetamide

C21H21N3O3S — CID 144523402

About benzene;2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-methylacetamide

benzene;2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-methylacetamide (PubChem CID 144523402) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is benzene;2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-methylacetamide.

Molecular Properties

• Compound Name: benzene;2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-methylacetamide
• PubChem CID: 144523402
• Molecular Formula: C21H21N3O3S
• Molecular Weight: 395.48 g/mol
• Exact Mass: 395.13
• IUPAC Name: benzene;2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-methylacetamide
• SMILES: CNC(=O)CSC1=C(C#N)C(c2ccc(O)cc2)CC(=O)N1.c1ccccc1
• InChI: InChI=1S/C15H15N3O3S.C6H6/c1-17-14(21)8-22-15-12(7-16)11(6-13(20)18-15)9-2-4-10(19)5-3-9;1-2-4-6-5-3-1/h2-5,11,19H,6,8H2,1H3,(H,17,21)(H,18,20);1-6H
• InChIKey: MTUJRRWWLIHWTH-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 102.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.48
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of benzene;2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-methylacetamide?

The IUPAC name of benzene;2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-methylacetamide (CID 144523402) is benzene;2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-methylacetamide.

What is the SMILES notation for benzene;2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-methylacetamide?

The canonical SMILES for benzene;2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-methylacetamide is CNC(=O)CSC1=C(C#N)C(c2ccc(O)cc2)CC(=O)N1.c1ccccc1.

What is the InChIKey of benzene;2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-methylacetamide?

The InChIKey is MTUJRRWWLIHWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S.C6H6/c1-17-14(21)8-22-15-12(7-16)11(6-13(20)18-15)9-2-4-10(19)5-3-9;1-2-4-6-5-3-1/h2-5,11,19H,6,8H2,1H3,(H,17,21)(H,18,20);1-6H.

What are the key properties of benzene;2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-methylacetamide?

benzene;2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-methylacetamide has a molecular weight of 395.48 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;2-[[5-cyano-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-methylacetamide is sourced from PubChem (CID 144523402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).