methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate

C13H14N2O4S — CID 43422932

IUPACmethyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C13H14N2O4S/c1-9-6-10-4-3-5-11(13(10)14-7-9)20(17,18)15-8-12(16)19-2/h3-7,15H,8H2,1-2H3
InChIKeyBGWZDHCMBWLUHJ-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.99
Rot. Bonds4

About methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate

methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate (PubChem CID 43422932) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
PubChem CID43422932
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Namemethyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C13H14N2O4S/c1-9-6-10-4-3-5-11(13(10)14-7-9)20(17,18)15-8-12(16)19-2/h3-7,15H,8H2,1-2H3
InChIKeyBGWZDHCMBWLUHJ-UHFFFAOYSA-N
XLogP0.99
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate 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-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 106844087
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid
CID 120660685
N-[2-(2-methoxyethylamino)ethyl]-3-methylquinoline-8-sulfonamide;hydrochloride
CID 120717516
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide
CID 103836890
3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide
CID 113236576
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide
CID 97069680
N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 31046324
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate
CID 46457653
N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
CID 31670142

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate (CID 43422932) is methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1cccc2cc(C)cnc12.
What is the InChIKey of methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate?
The InChIKey is BGWZDHCMBWLUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-9-6-10-4-3-5-11(13(10)14-7-9)20(17,18)15-8-12(16)19-2/h3-7,15H,8H2,1-2H3.
What are the key properties of methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate?
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate has a molecular weight of 294.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate is sourced from PubChem (CID 43422932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).