N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

C23H31N3O5S — CID 43006661

About N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 43006661) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
• PubChem CID: 43006661
• Molecular Formula: C23H31N3O5S
• Molecular Weight: 461.58 g/mol
• Exact Mass: 461.20
• IUPAC Name: N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
• SMILES: COc1ccc(C(CNC(=O)C(CCSC)NC(=O)c2ccco2)N2CCOCC2)cc1
• InChI: InChI=1S/C23H31N3O5S/c1-29-18-7-5-17(6-8-18)20(26-10-13-30-14-11-26)16-24-22(27)19(9-15-32-2)25-23(28)21-4-3-12-31-21/h3-8,12,19-20H,9-11,13-16H2,1-2H3,(H,24,27)(H,25,28)
• InChIKey: BWHRALHWAQSADE-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 93.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.58
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 43006661) is N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is COc1ccc(C(CNC(=O)C(CCSC)NC(=O)c2ccco2)N2CCOCC2)cc1.

What is the InChIKey of N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?

The InChIKey is BWHRALHWAQSADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-29-18-7-5-17(6-8-18)20(26-10-13-30-14-11-26)16-24-22(27)19(9-15-32-2)25-23(28)21-4-3-12-31-21/h3-8,12,19-20H,9-11,13-16H2,1-2H3,(H,24,27)(H,25,28).

What are the key properties of N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?

N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 461.58 g/mol, XLogP of 2.33, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 43006661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).