N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

C17H22N4O3S2 — CID 53152177

IUPACN-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2c(CC)nc3sc(C(C)C)nn23)cc1
InChIInChI=1S/C17H22N4O3S2/c1-5-14-16(21-17(18-14)25-15(19-21)11(3)4)26(22,23)20-12-7-9-13(10-8-12)24-6-2/h7-11,20H,5-6H2,1-4H3
InChIKeyIKCRCINDEXCGMT-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.68
Rot. Bonds7

About N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (PubChem CID 53152177) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
PubChem CID53152177
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC NameN-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2c(CC)nc3sc(C(C)C)nn23)cc1
InChIInChI=1S/C17H22N4O3S2/c1-5-14-16(21-17(18-14)25-15(19-21)11(3)4)26(22,23)20-12-7-9-13(10-8-12)24-6-2/h7-11,20H,5-6H2,1-4H3
InChIKeyIKCRCINDEXCGMT-UHFFFAOYSA-N
XLogP3.68
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide 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-(3-cyanophenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53152201
methyl 3-[(6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)sulfonylamino]benzoate
CID 53152205
N-(4-ethoxyphenyl)-2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151931
methyl 3-[[2,6-di(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]sulfonylamino]benzoate
CID 53152235
N-(4-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151763
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-[(4-ethoxyphenyl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151894
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 106593695
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide (CID 53152177) is N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is CCOc1ccc(NS(=O)(=O)c2c(CC)nc3sc(C(C)C)nn23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
The InChIKey is IKCRCINDEXCGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-5-14-16(21-17(18-14)25-15(19-21)11(3)4)26(22,23)20-12-7-9-13(10-8-12)24-6-2/h7-11,20H,5-6H2,1-4H3.
What are the key properties of N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide?
N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide has a molecular weight of 394.52 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6-ethyl-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide is sourced from PubChem (CID 53152177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).