2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid

C17H19NO4S — CID 166289228

IUPAC2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid
SMILESCc1ccc(S(=O)(=O)NC2CC(CC(=O)O)C2)c2ccccc12
InChIInChI=1S/C17H19NO4S/c1-11-6-7-16(15-5-3-2-4-14(11)15)23(21,22)18-13-8-12(9-13)10-17(19)20/h2-7,12-13,18H,8-10H2,1H3,(H,19,20)
InChIKeyQSYHDYKEAYLWAW-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.68
Rot. Bonds5

About 2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid

2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid (PubChem CID 166289228) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid
PubChem CID166289228
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid
SMILESCc1ccc(S(=O)(=O)NC2CC(CC(=O)O)C2)c2ccccc12
InChIInChI=1S/C17H19NO4S/c1-11-6-7-16(15-5-3-2-4-14(11)15)23(21,22)18-13-8-12(9-13)10-17(19)20/h2-7,12-13,18H,8-10H2,1H3,(H,19,20)
InChIKeyQSYHDYKEAYLWAW-UHFFFAOYSA-N
XLogP2.68
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide
CID 104774049
2-[(1R,3S)-3-[(4-ethoxy-2-methylphenyl)sulfonylamino]cyclopentyl]acetic acid
CID 164633122
N'-(4-methylnaphthalen-1-yl)sulfonylbutanehydrazide
CID 68528787
3-methoxy-2-methyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]propanoic acid
CID 166267226
2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide
CID 167979960
4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide
CID 118188377
(2R)-2-(methylamino)-N-(4-methylnaphthalen-1-yl)sulfonylpropanamide
CID 166291932
methyl 3-[(3-aminocyclobutyl)sulfamoyl]-4-methylbenzoate
CID 43597879
(2S)-3-(1H-indol-3-yl)-2-[(4-methylnaphthalen-1-yl)sulfonylamino]propanoic acid
CID 42080951
2-[3-[(3-methoxyphenyl)methylsulfonylamino]cyclobutyl]acetic acid
CID 166289210
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid
CID 166289254

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid (CID 166289228) is 2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid is Cc1ccc(S(=O)(=O)NC2CC(CC(=O)O)C2)c2ccccc12.
What is the InChIKey of 2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid?
The InChIKey is QSYHDYKEAYLWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-11-6-7-16(15-5-3-2-4-14(11)15)23(21,22)18-13-8-12(9-13)10-17(19)20/h2-7,12-13,18H,8-10H2,1H3,(H,19,20).
What are the key properties of 2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid?
2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid has a molecular weight of 333.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 166289228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).