N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide

About N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide

N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide (PubChem CID 54639233) has the molecular formula C24H28N2O6S and a molecular weight of 472.56 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide.

Molecular Properties

Compound Name	N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
PubChem CID	54639233
Molecular Formula	C24H28N2O6S
Molecular Weight	472.56 g/mol
Exact Mass	472.17
IUPAC Name	N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES	COc1cccc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)NC3Cc4ccccc4C3)O[C@H]2CO)c1
InChI	InChI=1S/C24H28N2O6S/c1-31-19-7-4-8-21(13-19)33(29,30)26-22-10-9-20(32-23(22)15-27)14-24(28)25-18-11-16-5-2-3-6-17(16)12-18/h2-10,13,18,20,22-23,26-27H,11-12,14-15H2,1H3,(H,25,28)/t20-,22+,23-/m0/s1
InChIKey	UBQLRBWDFCIPMC-WWNPGLIZSA-N
XLogP	1.33
TPSA	113.96 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.56
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide?

The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide (CID 54639233) is N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide?

The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide is COc1cccc(S(=O)(=O)N[C@@H]2C=C[C@@H](CC(=O)NC3Cc4ccccc4C3)O[C@H]2CO)c1.

What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide?

The InChIKey is UBQLRBWDFCIPMC-WWNPGLIZSA-N. The full InChI is InChI=1S/C24H28N2O6S/c1-31-19-7-4-8-21(13-19)33(29,30)26-22-10-9-20(32-23(22)15-27)14-24(28)25-18-11-16-5-2-3-6-17(16)12-18/h2-10,13,18,20,22-23,26-27H,11-12,14-15H2,1H3,(H,25,28)/t20-,22+,23-/m0/s1.

What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide?

N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide has a molecular weight of 472.56 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide is sourced from PubChem (CID 54639233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).