[5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate

C24H36N2O6SSi — CID 69257205

IUPAC[5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate
SMILESCC(C)CCOc1ccc(OCc2ccccc2)c(OC(=O)N(CC[Si](C)(C)C)S(N)(=O)=O)c1
InChIInChI=1S/C24H36N2O6SSi/c1-19(2)13-15-30-21-11-12-22(31-18-20-9-7-6-8-10-20)23(17-21)32-24(27)26(33(25,28)29)14-16-34(3,4)5/h6-12,17,19H,13-16,18H2,1-5H3,(H2,25,28,29)
InChIKeyRKAUWPYXTMQVST-UHFFFAOYSA-N
MW508.71 g/mol
LogP5.03
Rot. Bonds12

About [5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate

[5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate (PubChem CID 69257205) has the molecular formula C24H36N2O6SSi and a molecular weight of 508.71 g/mol. Its IUPAC name is [5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate.

Molecular Properties

Compound Name[5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate
PubChem CID69257205
Molecular FormulaC24H36N2O6SSi
Molecular Weight508.71 g/mol
Exact Mass508.21
IUPAC Name[5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate
SMILESCC(C)CCOc1ccc(OCc2ccccc2)c(OC(=O)N(CC[Si](C)(C)C)S(N)(=O)=O)c1
InChIInChI=1S/C24H36N2O6SSi/c1-19(2)13-15-30-21-11-12-22(31-18-20-9-7-6-8-10-20)23(17-21)32-24(27)26(33(25,28)29)14-16-34(3,4)5/h6-12,17,19H,13-16,18H2,1-5H3,(H2,25,28,29)
InChIKeyRKAUWPYXTMQVST-UHFFFAOYSA-N
XLogP5.03
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3,4-bis(phenylmethoxy)phenyl] propanoate
CID 154459368
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
3-O-[3,4-bis(phenylmethoxy)phenyl] 1-O-methyl propanedioate
CID 56957808
[2,4-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 22087416
N-benzyl-2-[4-(3-methylbutoxy)phenoxy]acetamide
CID 4732905
benzyl N-[(3S)-3-amino-4-(4-butoxyphenyl)butyl]-N-(2-methylpropyl)carbamate
CID 71159128
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345
N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134546
benzyl 3-bromo-4-(3-methylbutoxy)benzoate
CID 54793286

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate?
The IUPAC name of [5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate (CID 69257205) is [5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate.
What is the SMILES notation for [5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate?
The canonical SMILES for [5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate is CC(C)CCOc1ccc(OCc2ccccc2)c(OC(=O)N(CC[Si](C)(C)C)S(N)(=O)=O)c1.
What is the InChIKey of [5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate?
The InChIKey is RKAUWPYXTMQVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O6SSi/c1-19(2)13-15-30-21-11-12-22(31-18-20-9-7-6-8-10-20)23(17-21)32-24(27)26(33(25,28)29)14-16-34(3,4)5/h6-12,17,19H,13-16,18H2,1-5H3,(H2,25,28,29).
What are the key properties of [5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate?
[5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate has a molecular weight of 508.71 g/mol, XLogP of 5.03, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylbutoxy)-2-phenylmethoxyphenyl] N-sulfamoyl-N-(2-trimethylsilylethyl)carbamate is sourced from PubChem (CID 69257205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).