2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid

C14H19NO5S — CID 166289210

IUPAC2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid
SMILESCOc1cccc(CS(=O)(=O)NC2CC(CC(=O)O)C2)c1
InChIInChI=1S/C14H19NO5S/c1-20-13-4-2-3-10(7-13)9-21(18,19)15-12-5-11(6-12)8-14(16)17/h2-4,7,11-12,15H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyWLMXTFJWKOWUQW-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.37
Rot. Bonds7

About 2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid

2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid (PubChem CID 166289210) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid
PubChem CID166289210
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid
SMILESCOc1cccc(CS(=O)(=O)NC2CC(CC(=O)O)C2)c1
InChIInChI=1S/C14H19NO5S/c1-20-13-4-2-3-10(7-13)9-21(18,19)15-12-5-11(6-12)8-14(16)17/h2-4,7,11-12,15H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyWLMXTFJWKOWUQW-UHFFFAOYSA-N
XLogP1.37
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997
1-methoxy-3-[(3-methoxyphenyl)methylsulfonylmethyl]benzene
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2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
2-[(3-methoxyphenyl)methylsulfonyl]-2-methylpropanoic acid
CID 81229600
N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide
CID 120717566
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CID 122072249
1-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine
CID 106121121
N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide;hydrochloride
CID 120717565
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
N-(benzenesulfonyl)-2-(3-methoxyphenyl)acetamide
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CID 176977930
1-[4-[(3-methoxyphenyl)methylsulfonylamino]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 172797608

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid (CID 166289210) is 2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid is COc1cccc(CS(=O)(=O)NC2CC(CC(=O)O)C2)c1.
What is the InChIKey of 2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid?
The InChIKey is WLMXTFJWKOWUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-20-13-4-2-3-10(7-13)9-21(18,19)15-12-5-11(6-12)8-14(16)17/h2-4,7,11-12,15H,5-6,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid?
2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid has a molecular weight of 313.38 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 166289210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).