2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide

C23H21N5OS — CID 17462070

IUPAC2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide
SMILESO=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1cccc2cccnc12
InChIInChI=1S/C23H21N5OS/c29-20(25-19-10-4-8-17-9-5-13-24-21(17)19)15-30-23-27-26-22(18-11-12-18)28(23)14-16-6-2-1-3-7-16/h1-10,13,18H,11-12,14-15H2,(H,25,29)
InChIKeyWUWXSSUNOSVKFE-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.48
Rot. Bonds7

About 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide

2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide (PubChem CID 17462070) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide
PubChem CID17462070
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide
SMILESO=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1cccc2cccnc12
InChIInChI=1S/C23H21N5OS/c29-20(25-19-10-4-8-17-9-5-13-24-21(17)19)15-30-23-27-26-22(18-11-12-18)28(23)14-16-6-2-1-3-7-16/h1-10,13,18H,11-12,14-15H2,(H,25,29)
InChIKeyWUWXSSUNOSVKFE-UHFFFAOYSA-N
XLogP4.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide with MolForge

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Related Compounds

2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide
CID 166189249
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide
CID 1457445
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 1457435
N-(2-chloro-3-pyridinyl)-2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17371605
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 7628403
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7989156
2-[[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 4882139
N-(2-chloro-3-pyridinyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19726984
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7989157
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-5-nitrophenyl)acetamide
CID 35985801
N-(2-adamantyl)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7442692
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
CID 2530193

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide (CID 17462070) is 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide is O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1cccc2cccnc12.
What is the InChIKey of 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide?
The InChIKey is WUWXSSUNOSVKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c29-20(25-19-10-4-8-17-9-5-13-24-21(17)19)15-30-23-27-26-22(18-11-12-18)28(23)14-16-6-2-1-3-7-16/h1-10,13,18H,11-12,14-15H2,(H,25,29).
What are the key properties of 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide?
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide has a molecular weight of 415.52 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 17462070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).