5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid

C16H19NO5S — CID 134158374

IUPAC5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid
SMILESCOc1ccc(S(=O)(=O)NCCCCC(=O)O)c2ccccc12
InChIInChI=1S/C16H19NO5S/c1-22-14-9-10-15(13-7-3-2-6-12(13)14)23(20,21)17-11-5-4-8-16(18)19/h2-3,6-7,9-10,17H,4-5,8,11H2,1H3,(H,18,19)
InChIKeyZPHHWDJVJHTZHN-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.38
Rot. Bonds8

About 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid

5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid (PubChem CID 134158374) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid
PubChem CID134158374
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Name5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid
SMILESCOc1ccc(S(=O)(=O)NCCCCC(=O)O)c2ccccc12
InChIInChI=1S/C16H19NO5S/c1-22-14-9-10-15(13-7-3-2-6-12(13)14)23(20,21)17-11-5-4-8-16(18)19/h2-3,6-7,9-10,17H,4-5,8,11H2,1H3,(H,18,19)
InChIKeyZPHHWDJVJHTZHN-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 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic 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

4-ethoxy-N-(oxolan-2-ylmethyl)naphthalene-1-sulfonamide
CID 3148555
N-[(4-methoxy-1-naphthyl)sulfonyl]-N-methylglycine
CID 729581
Ethyl 1-[(4-methoxy-1-naphthyl)sulfonyl]-3-piperidinecarboxylate
CID 2955240
4-[[(4-Methoxynaphthalen-1-yl)sulfonylamino]methyl]benzoic acid
CID 145980493
3-[[(4-Methoxynaphthalen-1-yl)sulfonylamino]methyl]benzoic acid
CID 145980978
naphthalene-N-sulfonyl-D-glu derivative, 17a
CID 25138184
Naphthylsulfonamide, 18
CID 25138194
(2R)-2-[(5-butoxy-1-naphthyl)sulfonylamino]pentanedioic acid
CID 25138201
(2R)-2-[(4-butoxy-1-naphthyl)sulfonylamino]pentanedioic acid
CID 25138202
1-[(4-Methoxy-1-naphthyl)sulfonyl]-4-piperidinecarboxamide
CID 849962
N-[2-(1-cyclohexen-1-yl)ethyl]-4-ethoxy-1-naphthalenesulfonamide
CID 1290165
N-cyclohexyl-4-propoxynaphthalene-1-sulfonamide
CID 2236143

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid?
The IUPAC name of 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid (CID 134158374) is 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid is COc1ccc(S(=O)(=O)NCCCCC(=O)O)c2ccccc12.
What is the InChIKey of 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid?
The InChIKey is ZPHHWDJVJHTZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-22-14-9-10-15(13-7-3-2-6-12(13)14)23(20,21)17-11-5-4-8-16(18)19/h2-3,6-7,9-10,17H,4-5,8,11H2,1H3,(H,18,19).
What are the key properties of 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid?
5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic 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 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 134158374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).