3-methyl-N-[(2R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C20H26N2O3S — CID 94330211

About 3-methyl-N-[(2R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

3-methyl-N-[(2R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 94330211) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-methyl-N-[(2R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-[(2R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
• PubChem CID: 94330211
• Molecular Formula: C20H26N2O3S
• Molecular Weight: 374.51 g/mol
• Exact Mass: 374.17
• IUPAC Name: 3-methyl-N-[(2R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
• SMILES: CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N(C)Cc1ccc(C)o1
• InChI: InChI=1S/C20H26N2O3S/c1-14-6-5-7-16(12-14)19(23)21-18(10-11-26-4)20(24)22(3)13-17-9-8-15(2)25-17/h5-9,12,18H,10-11,13H2,1-4H3,(H,21,23)/t18-/m1/s1
• InChIKey: UROIRWHIDGDTOA-GOSISDBHSA-N
• XLogP: 3.41
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.51
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?

The IUPAC name of 3-methyl-N-[(2R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 94330211) is 3-methyl-N-[(2R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 3-methyl-N-[(2R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 3-methyl-N-[(2R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N(C)Cc1ccc(C)o1.

What is the InChIKey of 3-methyl-N-[(2R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?

The InChIKey is UROIRWHIDGDTOA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14-6-5-7-16(12-14)19(23)21-18(10-11-26-4)20(24)22(3)13-17-9-8-15(2)25-17/h5-9,12,18H,10-11,13H2,1-4H3,(H,21,23)/t18-/m1/s1.

What are the key properties of 3-methyl-N-[(2R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?

3-methyl-N-[(2R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[(2R)-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 94330211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).