ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate

C18H23N3O4S — CID 51152378

IUPACethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCCCn1nc(C(=O)Nc2sc(CC)cc2C(=O)OCC)ccc1=O
InChIInChI=1S/C18H23N3O4S/c1-4-7-10-21-15(22)9-8-14(20-21)16(23)19-17-13(18(24)25-6-3)11-12(5-2)26-17/h8-9,11H,4-7,10H2,1-3H3,(H,19,23)
InChIKeyBYYIWHOTFTYAHJ-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.10
Rot. Bonds8

About ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate

ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate (PubChem CID 51152378) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate
PubChem CID51152378
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Nameethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCCCn1nc(C(=O)Nc2sc(CC)cc2C(=O)OCC)ccc1=O
InChIInChI=1S/C18H23N3O4S/c1-4-7-10-21-15(22)9-8-14(20-21)16(23)19-17-13(18(24)25-6-3)11-12(5-2)26-17/h8-9,11H,4-7,10H2,1-3H3,(H,19,23)
InChIKeyBYYIWHOTFTYAHJ-UHFFFAOYSA-N
XLogP3.10
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-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

Related Compounds

ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
CID 46436028
ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 55329061
ethyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 106685687
N-(4-amino-3,5-dichlorophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 51266108
ethyl 2-[(1-butyl-3-methylindole-2-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 110503547
ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 2220326
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
1-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 18081137
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 62788622
4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496208
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 5-ethyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 114822083

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate (CID 51152378) is ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate is CCCCn1nc(C(=O)Nc2sc(CC)cc2C(=O)OCC)ccc1=O.
What is the InChIKey of ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate?
The InChIKey is BYYIWHOTFTYAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-4-7-10-21-15(22)9-8-14(20-21)16(23)19-17-13(18(24)25-6-3)11-12(5-2)26-17/h8-9,11H,4-7,10H2,1-3H3,(H,19,23).
What are the key properties of ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate?
ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate has a molecular weight of 377.47 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 51152378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).