ethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate

C23H23N3O4S2 — CID 67746049

IUPACethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cccc(SCCNS(=O)(=O)c3cccc4ccccc34)n12
InChIInChI=1S/C23H23N3O4S2/c1-3-30-23(27)22-16(2)25-20-12-7-13-21(26(20)22)31-15-14-24-32(28,29)19-11-6-9-17-8-4-5-10-18(17)19/h4-13,24H,3,14-15H2,1-2H3
InChIKeyHYRSLSLBOVPRIT-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.04
Rot. Bonds8

About ethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 67746049) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is ethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID67746049
Molecular FormulaC23H23N3O4S2
Molecular Weight469.59 g/mol
Exact Mass469.11
IUPAC Nameethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cccc(SCCNS(=O)(=O)c3cccc4ccccc34)n12
InChIInChI=1S/C23H23N3O4S2/c1-3-30-23(27)22-16(2)25-20-12-7-13-21(26(20)22)31-15-14-24-32(28,29)19-11-6-9-17-8-4-5-10-18(17)19/h4-13,24H,3,14-15H2,1-2H3
InChIKeyHYRSLSLBOVPRIT-UHFFFAOYSA-N
XLogP4.04
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 23362810
N-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide
CID 67746020
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 130113655
N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide
CID 170551201
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 2-(ethylsulfamoyl)benzoate
CID 18338374
tert-butyl 3-(naphthalen-1-ylsulfonylamino)propanoate
CID 3667575
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
CID 115684173
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate (CID 67746049) is ethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2cccc(SCCNS(=O)(=O)c3cccc4ccccc34)n12.
What is the InChIKey of ethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is HYRSLSLBOVPRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c1-3-30-23(27)22-16(2)25-20-12-7-13-21(26(20)22)31-15-14-24-32(28,29)19-11-6-9-17-8-4-5-10-18(17)19/h4-13,24H,3,14-15H2,1-2H3.
What are the key properties of ethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 469.59 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-[2-(naphthalen-1-ylsulfonylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 67746049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).