(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide

About (2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide

(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide (PubChem CID 139889898) has the molecular formula C24H40N2O5SSi and a molecular weight of 496.75 g/mol. Its IUPAC name is (2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name	(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide
PubChem CID	139889898
Molecular Formula	C24H40N2O5SSi
Molecular Weight	496.75 g/mol
Exact Mass	496.24
IUPAC Name	(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide
SMILES	Cc1ccc(S(=O)(=O)N(C(=O)[C@H](C)[C@H]2NC(=O)[C@@H]2[C@@H](C)O[Si](C)(C)C(C)(C)C)C(C)C)cc1
InChI	InChI=1S/C24H40N2O5SSi/c1-15(2)26(32(29,30)19-13-11-16(3)12-14-19)23(28)17(4)21-20(22(27)25-21)18(5)31-33(9,10)24(6,7)8/h11-15,17-18,20-21H,1-10H3,(H,25,27)/t17-,18-,20-,21-/m1/s1
InChIKey	RKIJZHXJJAQFEO-VURPSTOHSA-N
XLogP	4.08
TPSA	92.78 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.75
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide?

The IUPAC name of (2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide (CID 139889898) is (2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide.

What is the SMILES notation for (2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide?

The canonical SMILES for (2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide is Cc1ccc(S(=O)(=O)N(C(=O)[C@H](C)[C@H]2NC(=O)[C@@H]2[C@@H](C)O[Si](C)(C)C(C)(C)C)C(C)C)cc1.

What is the InChIKey of (2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide?

The InChIKey is RKIJZHXJJAQFEO-VURPSTOHSA-N. The full InChI is InChI=1S/C24H40N2O5SSi/c1-15(2)26(32(29,30)19-13-11-16(3)12-14-19)23(28)17(4)21-20(22(27)25-21)18(5)31-33(9,10)24(6,7)8/h11-15,17-18,20-21H,1-10H3,(H,25,27)/t17-,18-,20-,21-/m1/s1.

What are the key properties of (2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide?

(2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide has a molecular weight of 496.75 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-N-(4-methylphenyl)sulfonyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 139889898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).