2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide

C18H18N4O3S — CID 90542240

IUPAC2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2nc(-c3cccs3)n(C3CC3)c2=O)c1
InChIInChI=1S/C18H18N4O3S/c1-25-14-5-2-4-12(10-14)19-16(23)11-21-18(24)22(13-7-8-13)17(20-21)15-6-3-9-26-15/h2-6,9-10,13H,7-8,11H2,1H3,(H,19,23)
InChIKeyZCVRRGKKMGEANL-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.76
Rot. Bonds6

About 2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide

2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 90542240) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID90542240
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2nc(-c3cccs3)n(C3CC3)c2=O)c1
InChIInChI=1S/C18H18N4O3S/c1-25-14-5-2-4-12(10-14)19-16(23)11-21-18(24)22(13-7-8-13)17(20-21)15-6-3-9-26-15/h2-6,9-10,13H,7-8,11H2,1H3,(H,19,23)
InChIKeyZCVRRGKKMGEANL-UHFFFAOYSA-N
XLogP2.76
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide 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

2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-phenylacetamide
CID 90542209
2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(4-methylphenyl)acetamide
CID 90542211
N-(3-chloro-4-fluorophenyl)-2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)acetamide
CID 90542234
ethyl 4-[[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)acetyl]amino]benzoate
CID 90542260
2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-ethylacetamide
CID 90542236
1-(3-chlorophenyl)-3-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]urea
CID 90541818
N-(3-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide
CID 17033366
methyl 4-[(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzoate
CID 71793587
2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide
CID 121116795
N-(3-methoxyphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7190352
4-cyclopropyl-2-(1,3-dioxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-one
CID 121117178
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 121118020

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide (CID 90542240) is 2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2nc(-c3cccs3)n(C3CC3)c2=O)c1.
What is the InChIKey of 2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is ZCVRRGKKMGEANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-25-14-5-2-4-12(10-14)19-16(23)11-21-18(24)22(13-7-8-13)17(20-21)15-6-3-9-26-15/h2-6,9-10,13H,7-8,11H2,1H3,(H,19,23).
What are the key properties of 2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide?
2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 90542240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).