2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid

C16H19NO5S — CID 25138195

IUPAC2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid
SMILESCCCCOc1ccc2cc(S(=O)(=O)NCC(=O)O)ccc2c1
InChIInChI=1S/C16H19NO5S/c1-2-3-8-22-14-6-4-13-10-15(7-5-12(13)9-14)23(20,21)17-11-16(18)19/h4-7,9-10,17H,2-3,8,11H2,1H3,(H,18,19)
InChIKeyZSUOMZZWSFNHAV-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.38
Rot. Bonds8

About 2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid

2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid (PubChem CID 25138195) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid
PubChem CID25138195
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Name2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid
SMILESCCCCOc1ccc2cc(S(=O)(=O)NCC(=O)O)ccc2c1
InChIInChI=1S/C16H19NO5S/c1-2-3-8-22-14-6-4-13-10-15(7-5-12(13)9-14)23(20,21)17-11-16(18)19/h4-7,9-10,17H,2-3,8,11H2,1H3,(H,18,19)
InChIKeyZSUOMZZWSFNHAV-UHFFFAOYSA-N
XLogP2.38
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(6-butoxynaphthalen-2-yl)sulfonylamino]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

Frequently Asked Questions

What is the IUPAC name of 2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid (CID 25138195) is 2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid is CCCCOc1ccc2cc(S(=O)(=O)NCC(=O)O)ccc2c1.
What is the InChIKey of 2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid?
The InChIKey is ZSUOMZZWSFNHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-2-3-8-22-14-6-4-13-10-15(7-5-12(13)9-14)23(20,21)17-11-16(18)19/h4-7,9-10,17H,2-3,8,11H2,1H3,(H,18,19).
What are the key properties of 2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid?
2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid has a molecular weight of 337.40 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-butoxynaphthalen-2-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 25138195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).