1-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(4-methylphenyl)sulfonylurea

About 1-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(4-methylphenyl)sulfonylurea

1-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 122178236) has the molecular formula C24H36N4O7SSi and a molecular weight of 552.73 g/mol. Its IUPAC name is 1-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name	1-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(4-methylphenyl)sulfonylurea
PubChem CID	122178236
Molecular Formula	C24H36N4O7SSi
Molecular Weight	552.73 g/mol
Exact Mass	552.21
IUPAC Name	1-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(4-methylphenyl)sulfonylurea
SMILES	Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO[Si](C)(C)C(C)(C)C)cc1
InChI	InChI=1S/C24H36N4O7SSi/c1-15-8-10-17(11-9-15)36(32,33)27-22(30)25-18-12-20(28-13-16(2)21(29)26-23(28)31)35-19(18)14-34-37(6,7)24(3,4)5/h8-11,13,18-20H,12,14H2,1-7H3,(H2,25,27,30)(H,26,29,31)/t18-,19+,20+/m0/s1
InChIKey	TZLBDAXJYTYRQB-XUVXKRRUSA-N
XLogP	2.52
TPSA	148.59 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.73
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(4-methylphenyl)sulfonylurea?

The IUPAC name of 1-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(4-methylphenyl)sulfonylurea (CID 122178236) is 1-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(4-methylphenyl)sulfonylurea.

What is the SMILES notation for 1-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(4-methylphenyl)sulfonylurea?

The canonical SMILES for 1-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO[Si](C)(C)C(C)(C)C)cc1.

What is the InChIKey of 1-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(4-methylphenyl)sulfonylurea?

The InChIKey is TZLBDAXJYTYRQB-XUVXKRRUSA-N. The full InChI is InChI=1S/C24H36N4O7SSi/c1-15-8-10-17(11-9-15)36(32,33)27-22(30)25-18-12-20(28-13-16(2)21(29)26-23(28)31)35-19(18)14-34-37(6,7)24(3,4)5/h8-11,13,18-20H,12,14H2,1-7H3,(H2,25,27,30)(H,26,29,31)/t18-,19+,20+/m0/s1.

What are the key properties of 1-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(4-methylphenyl)sulfonylurea?

1-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 552.73 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 122178236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).