N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide

C17H25N3O4S — CID 17459688

About N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide

N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide (PubChem CID 17459688) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide
• PubChem CID: 17459688
• Molecular Formula: C17H25N3O4S
• Molecular Weight: 367.47 g/mol
• Exact Mass: 367.16
• IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide
• SMILES: CSCCC(NC(=O)c1ccco1)C(=O)NCCC(=O)N1CCCC1
• InChI: InChI=1S/C17H25N3O4S/c1-25-12-7-13(19-17(23)14-5-4-11-24-14)16(22)18-8-6-15(21)20-9-2-3-10-20/h4-5,11,13H,2-3,6-10,12H2,1H3,(H,18,22)(H,19,23)
• InChIKey: KDCXQQGEMQBFHQ-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 91.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.47
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide (CID 17459688) is N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide is CSCCC(NC(=O)c1ccco1)C(=O)NCCC(=O)N1CCCC1.

What is the InChIKey of N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide?

The InChIKey is KDCXQQGEMQBFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-25-12-7-13(19-17(23)14-5-4-11-24-14)16(22)18-8-6-15(21)20-9-2-3-10-20/h4-5,11,13H,2-3,6-10,12H2,1H3,(H,18,22)(H,19,23).

What are the key properties of N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide?

N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 17459688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).