N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide

C24H30N2O6S — CID 100759434

About N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide

N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide (PubChem CID 100759434) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide
• PubChem CID: 100759434
• Molecular Formula: C24H30N2O6S
• Molecular Weight: 474.58 g/mol
• Exact Mass: 474.18
• IUPAC Name: N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide
• SMILES: CCC1(CC)C[C@@H](NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c2ccccc2O1
• InChI: InChI=1S/C24H30N2O6S/c1-4-24(5-2)15-19(18-8-6-7-9-20(18)32-24)25-23(27)16-26(33(3,28)29)17-10-11-21-22(14-17)31-13-12-30-21/h6-11,14,19H,4-5,12-13,15-16H2,1-3H3,(H,25,27)/t19-/m1/s1
• InChIKey: UROUYLXNJVXVHK-LJQANCHMSA-N
• XLogP: 3.42
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.58
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide?

The IUPAC name of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide (CID 100759434) is N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide.

What is the SMILES notation for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide?

The canonical SMILES for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide is CCC1(CC)C[C@@H](NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c2ccccc2O1.

What is the InChIKey of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide?

The InChIKey is UROUYLXNJVXVHK-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-4-24(5-2)15-19(18-8-6-7-9-20(18)32-24)25-23(27)16-26(33(3,28)29)17-10-11-21-22(14-17)31-13-12-30-21/h6-11,14,19H,4-5,12-13,15-16H2,1-3H3,(H,25,27)/t19-/m1/s1.

What are the key properties of N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide?

N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide has a molecular weight of 474.58 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 100759434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).