2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide

C19H18N4O2S2 — CID 9451445

IUPAC2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide
SMILESNC(=O)Cc1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)s1
InChIInChI=1S/C19H18N4O2S2/c20-17(25)10-14-8-9-16(27-14)15(24)11-26-19-21-18(12-6-7-12)23(22-19)13-4-2-1-3-5-13/h1-5,8-9,12H,6-7,10-11H2,(H2,20,25)
InChIKeyYLOLUWJBVLZDMA-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.21
Rot. Bonds8

About 2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide

2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide (PubChem CID 9451445) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide
PubChem CID9451445
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC Name2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide
SMILESNC(=O)Cc1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)s1
InChIInChI=1S/C19H18N4O2S2/c20-17(25)10-14-8-9-16(27-14)15(24)11-26-19-21-18(12-6-7-12)23(22-19)13-4-2-1-3-5-13/h1-5,8-9,12H,6-7,10-11H2,(H2,20,25)
InChIKeyYLOLUWJBVLZDMA-UHFFFAOYSA-N
XLogP3.21
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide 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 2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide?
The IUPAC name of 2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide (CID 9451445) is 2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide.
What is the SMILES notation for 2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide?
The canonical SMILES for 2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide is NC(=O)Cc1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)s1.
What is the InChIKey of 2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide?
The InChIKey is YLOLUWJBVLZDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S2/c20-17(25)10-14-8-9-16(27-14)15(24)11-26-19-21-18(12-6-7-12)23(22-19)13-4-2-1-3-5-13/h1-5,8-9,12H,6-7,10-11H2,(H2,20,25).
What are the key properties of 2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide?
2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]thiophen-2-yl]acetamide is sourced from PubChem (CID 9451445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).