tert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate

C16H23NO5S — CID 141272061

IUPACtert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate
SMILESCC(C)(C)OC(=O)CS(=O)(=O)N(OCC1CC1)c1ccccc1
InChIInChI=1S/C16H23NO5S/c1-16(2,3)22-15(18)12-23(19,20)17(21-11-13-9-10-13)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3
InChIKeyWTXBHLPOSOQKGF-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.51
Rot. Bonds7

About tert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate

tert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate (PubChem CID 141272061) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is tert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate
PubChem CID141272061
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Nametert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate
SMILESCC(C)(C)OC(=O)CS(=O)(=O)N(OCC1CC1)c1ccccc1
InChIInChI=1S/C16H23NO5S/c1-16(2,3)22-15(18)12-23(19,20)17(21-11-13-9-10-13)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3
InChIKeyWTXBHLPOSOQKGF-UHFFFAOYSA-N
XLogP2.51
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate?
The IUPAC name of tert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate (CID 141272061) is tert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate.
What is the SMILES notation for tert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate?
The canonical SMILES for tert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate is CC(C)(C)OC(=O)CS(=O)(=O)N(OCC1CC1)c1ccccc1.
What is the InChIKey of tert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate?
The InChIKey is WTXBHLPOSOQKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-16(2,3)22-15(18)12-23(19,20)17(21-11-13-9-10-13)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3.
What are the key properties of tert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate?
tert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate has a molecular weight of 341.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[cyclopropylmethoxy(phenyl)sulfamoyl]acetate is sourced from PubChem (CID 141272061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).