N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

C18H24N2O3S2 — CID 51938735

About N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 51938735) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
• PubChem CID: 51938735
• Molecular Formula: C18H24N2O3S2
• Molecular Weight: 380.54 g/mol
• Exact Mass: 380.12
• IUPAC Name: N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
• SMILES: CSCC[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1cc(C)sc1C
• InChI: InChI=1S/C18H24N2O3S2/c1-11-10-14(13(3)25-11)12(2)19-17(21)15(7-9-24-4)20-18(22)16-6-5-8-23-16/h5-6,8,10,12,15H,7,9H2,1-4H3,(H,19,21)(H,20,22)/t12-,15-/m1/s1
• InChIKey: IDCRRDJOOZOSAT-IUODEOHRSA-N
• XLogP: 3.69
• TPSA: 71.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.54
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 51938735) is N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is CSCC[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1cc(C)sc1C.

What is the InChIKey of N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?

The InChIKey is IDCRRDJOOZOSAT-IUODEOHRSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-11-10-14(13(3)25-11)12(2)19-17(21)15(7-9-24-4)20-18(22)16-6-5-8-23-16/h5-6,8,10,12,15H,7,9H2,1-4H3,(H,19,21)(H,20,22)/t12-,15-/m1/s1.

What are the key properties of N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?

N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51938735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).