ethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate

C18H18N2O4S2 — CID 177262112

IUPACethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2cccc3cccnc23)sc(C)c1C
InChIInChI=1S/C18H18N2O4S2/c1-4-24-18(21)15-11(2)12(3)25-17(15)20-26(22,23)14-9-5-7-13-8-6-10-19-16(13)14/h5-10,20H,4H2,1-3H3
InChIKeyCFPFQPRITLBTTM-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.89
Rot. Bonds5

About ethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate

ethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate (PubChem CID 177262112) has the molecular formula C18H18N2O4S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate
PubChem CID177262112
Molecular FormulaC18H18N2O4S2
Molecular Weight390.49 g/mol
Exact Mass390.07
IUPAC Nameethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NS(=O)(=O)c2cccc3cccnc23)sc(C)c1C
InChIInChI=1S/C18H18N2O4S2/c1-4-24-18(21)15-11(2)12(3)25-17(15)20-26(22,23)14-9-5-7-13-8-6-10-19-16(13)14/h5-10,20H,4H2,1-3H3
InChIKeyCFPFQPRITLBTTM-UHFFFAOYSA-N
XLogP3.89
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate 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 ethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate (CID 177262112) is ethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate is CCOC(=O)c1c(NS(=O)(=O)c2cccc3cccnc23)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate?
The InChIKey is CFPFQPRITLBTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S2/c1-4-24-18(21)15-11(2)12(3)25-17(15)20-26(22,23)14-9-5-7-13-8-6-10-19-16(13)14/h5-10,20H,4H2,1-3H3.
What are the key properties of ethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate has a molecular weight of 390.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-(quinolin-8-ylsulfonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 177262112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).