N-[(2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

C20H24N2O4S — CID 39964034

About N-[(2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[(2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 39964034) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
• PubChem CID: 39964034
• Molecular Formula: C20H24N2O4S
• Molecular Weight: 388.49 g/mol
• Exact Mass: 388.15
• IUPAC Name: N-[(2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
• SMILES: CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C20H24N2O4S/c1-12(2)18(22-19(23)17-5-4-10-27-17)20(24)21-13(3)14-6-7-15-16(11-14)26-9-8-25-15/h4-7,10-13,18H,8-9H2,1-3H3,(H,21,24)(H,22,23)/t13-,18-/m1/s1
• InChIKey: JNDYNGJFFVGWBL-FZKQIMNGSA-N
• XLogP: 3.15
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.49
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[(2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 39964034) is N-[(2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[(2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2.

What is the InChIKey of N-[(2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?

The InChIKey is JNDYNGJFFVGWBL-FZKQIMNGSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-12(2)18(22-19(23)17-5-4-10-27-17)20(24)21-13(3)14-6-7-15-16(11-14)26-9-8-25-15/h4-7,10-13,18H,8-9H2,1-3H3,(H,21,24)(H,22,23)/t13-,18-/m1/s1.

What are the key properties of N-[(2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?

N-[(2R)-1-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.15, 6 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-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 39964034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).