[5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid

C15H24N2O6S — CID 121268677

IUPAC[5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid
SMILESCOc1c(NC(=O)O)cc(C(C)(C)C)cc1NS(=O)(=O)CCCO
InChIInChI=1S/C15H24N2O6S/c1-15(2,3)10-8-11(16-14(19)20)13(23-4)12(9-10)17-24(21,22)7-5-6-18/h8-9,16-18H,5-7H2,1-4H3,(H,19,20)
InChIKeyRWUKONVMNXAAJU-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.21
Rot. Bonds7

About [5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid

[5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid (PubChem CID 121268677) has the molecular formula C15H24N2O6S and a molecular weight of 360.43 g/mol. Its IUPAC name is [5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid.

Molecular Properties

Compound Name[5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid
PubChem CID121268677
Molecular FormulaC15H24N2O6S
Molecular Weight360.43 g/mol
Exact Mass360.14
IUPAC Name[5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid
SMILESCOc1c(NC(=O)O)cc(C(C)(C)C)cc1NS(=O)(=O)CCCO
InChIInChI=1S/C15H24N2O6S/c1-15(2,3)10-8-11(16-14(19)20)13(23-4)12(9-10)17-24(21,22)7-5-6-18/h8-9,16-18H,5-7H2,1-4H3,(H,19,20)
InChIKeyRWUKONVMNXAAJU-UHFFFAOYSA-N
XLogP2.21
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid?
The IUPAC name of [5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid (CID 121268677) is [5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid.
What is the SMILES notation for [5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid?
The canonical SMILES for [5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid is COc1c(NC(=O)O)cc(C(C)(C)C)cc1NS(=O)(=O)CCCO.
What is the InChIKey of [5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid?
The InChIKey is RWUKONVMNXAAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6S/c1-15(2,3)10-8-11(16-14(19)20)13(23-4)12(9-10)17-24(21,22)7-5-6-18/h8-9,16-18H,5-7H2,1-4H3,(H,19,20).
What are the key properties of [5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid?
[5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid has a molecular weight of 360.43 g/mol, XLogP of 2.21, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid is sourced from PubChem (CID 121268677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).