2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid

C15H21NO6S — CID 166332017

IUPAC2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1cccc(OC(C)CNS(=O)(=O)C2CCC2C(=O)O)c1
InChIInChI=1S/C15H21NO6S/c1-10(22-12-5-3-4-11(8-12)21-2)9-16-23(19,20)14-7-6-13(14)15(17)18/h3-5,8,10,13-14,16H,6-7,9H2,1-2H3,(H,17,18)
InChIKeySTFVTMJYINPRTO-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.25
Rot. Bonds8

About 2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid

2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid (PubChem CID 166332017) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid
PubChem CID166332017
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Name2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid
SMILESCOc1cccc(OC(C)CNS(=O)(=O)C2CCC2C(=O)O)c1
InChIInChI=1S/C15H21NO6S/c1-10(22-12-5-3-4-11(8-12)21-2)9-16-23(19,20)14-7-6-13(14)15(17)18/h3-5,8,10,13-14,16H,6-7,9H2,1-2H3,(H,17,18)
InChIKeySTFVTMJYINPRTO-UHFFFAOYSA-N
XLogP1.25
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-methoxyphenoxy)propylcarbamoyl]piperidine-4-carboxylic acid
CID 122004010
1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea
CID 95968582
trans-(1R,2R)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131962
trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131961
1-methoxy-3-(4-methylpentan-2-yloxy)benzene
CID 102109501
2-[2-(3-fluorophenoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119186702
2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 112547416
cis-(1R,3S)-3-[[2-(3-methoxyphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678646
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111679513
N-[2-(3-methoxyphenoxy)propyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111501931
3-[2-(3-methoxyphenoxy)propylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122004022
(2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide
CID 119335528

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid (CID 166332017) is 2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid is COc1cccc(OC(C)CNS(=O)(=O)C2CCC2C(=O)O)c1.
What is the InChIKey of 2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is STFVTMJYINPRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO6S/c1-10(22-12-5-3-4-11(8-12)21-2)9-16-23(19,20)14-7-6-13(14)15(17)18/h3-5,8,10,13-14,16H,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid?
2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 343.40 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenoxy)propylsulfamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 166332017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).