2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid

C17H20N2O5S2 — CID 136531124

IUPAC2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1S(=O)(=O)NC1(c2nc(C)cs2)CCC1
InChIInChI=1S/C17H20N2O5S2/c1-11-10-25-16(18-11)17(6-3-7-17)19-26(22,23)14-8-12(9-15(20)21)4-5-13(14)24-2/h4-5,8,10,19H,3,6-7,9H2,1-2H3,(H,20,21)
InChIKeyVBWZEUBKKJOBLO-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.44
Rot. Bonds7

About 2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid

2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid (PubChem CID 136531124) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid
PubChem CID136531124
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1S(=O)(=O)NC1(c2nc(C)cs2)CCC1
InChIInChI=1S/C17H20N2O5S2/c1-11-10-25-16(18-11)17(6-3-7-17)19-26(22,23)14-8-12(9-15(20)21)4-5-13(14)24-2/h4-5,8,10,19H,3,6-7,9H2,1-2H3,(H,20,21)
InChIKeyVBWZEUBKKJOBLO-UHFFFAOYSA-N
XLogP2.44
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid (CID 136531124) is 2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid is COc1ccc(CC(=O)O)cc1S(=O)(=O)NC1(c2nc(C)cs2)CCC1.
What is the InChIKey of 2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid?
The InChIKey is VBWZEUBKKJOBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-11-10-25-16(18-11)17(6-3-7-17)19-26(22,23)14-8-12(9-15(20)21)4-5-13(14)24-2/h4-5,8,10,19H,3,6-7,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid?
2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid has a molecular weight of 396.49 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-[[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 136531124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).