N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide

C20H26N4O4S — CID 16602336

About N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide

N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 16602336) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide
• PubChem CID: 16602336
• Molecular Formula: C20H26N4O4S
• Molecular Weight: 418.52 g/mol
• Exact Mass: 418.17
• IUPAC Name: N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide
• SMILES: CSCCC(NC(=O)c1ccco1)C(=O)NCc1ccc(N2CCOCC2)nc1
• InChI: InChI=1S/C20H26N4O4S/c1-29-12-6-16(23-20(26)17-3-2-9-28-17)19(25)22-14-15-4-5-18(21-13-15)24-7-10-27-11-8-24/h2-5,9,13,16H,6-8,10-12,14H2,1H3,(H,22,25)(H,23,26)
• InChIKey: FWFAXEVSNZAYOI-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 96.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.52
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide (CID 16602336) is N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide is CSCCC(NC(=O)c1ccco1)C(=O)NCc1ccc(N2CCOCC2)nc1.

What is the InChIKey of N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide?

The InChIKey is FWFAXEVSNZAYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-29-12-6-16(23-20(26)17-3-2-9-28-17)19(25)22-14-15-4-5-18(21-13-15)24-7-10-27-11-8-24/h2-5,9,13,16H,6-8,10-12,14H2,1H3,(H,22,25)(H,23,26).

What are the key properties of N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide?

N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 16602336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).