N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C24H24N4O3S — CID 20921266

About N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 20921266) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
• PubChem CID: 20921266
• Molecular Formula: C24H24N4O3S
• Molecular Weight: 448.55 g/mol
• Exact Mass: 448.16
• IUPAC Name: N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
• SMILES: COc1ccccc1CNC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1
• InChI: InChI=1S/C24H24N4O3S/c1-31-21-7-3-2-5-18(21)16-26-22(29)15-17-8-10-19(11-9-17)27-24(30)28-13-14-32-23-20(28)6-4-12-25-23/h2-12H,13-16H2,1H3,(H,26,29)(H,27,30)
• InChIKey: AOJWBBXMFBMFSM-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.55
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?

The IUPAC name of N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 20921266) is N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

What is the SMILES notation for N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?

The canonical SMILES for N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is COc1ccccc1CNC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1.

What is the InChIKey of N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?

The InChIKey is AOJWBBXMFBMFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-31-21-7-3-2-5-18(21)16-26-22(29)15-17-8-10-19(11-9-17)27-24(30)28-13-14-32-23-20(28)6-4-12-25-23/h2-12H,13-16H2,1H3,(H,26,29)(H,27,30).

What are the key properties of N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?

N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 20921266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).