2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide

C27H26N4O2S — CID 90726939

IUPAC2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide
SMILESCC(=O)CNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C2CC2)c2ccccc12
InChIInChI=1S/C27H26N4O2S/c1-18(32)16-28-26(33)17-34-27-30-29-25(15-19-7-3-2-4-8-19)31(27)24-14-13-21(20-11-12-20)22-9-5-6-10-23(22)24/h2-10,13-14,20H,11-12,15-17H2,1H3,(H,28,33)
InChIKeyHKEXOWQVMFHXAZ-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.69
Rot. Bonds9

About 2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide

2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide (PubChem CID 90726939) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is 2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Name2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide
PubChem CID90726939
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC Name2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide
SMILESCC(=O)CNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C2CC2)c2ccccc12
InChIInChI=1S/C27H26N4O2S/c1-18(32)16-28-26(33)17-34-27-30-29-25(15-19-7-3-2-4-8-19)31(27)24-14-13-21(20-11-12-20)22-9-5-6-10-23(22)24/h2-10,13-14,20H,11-12,15-17H2,1H3,(H,28,33)
InChIKeyHKEXOWQVMFHXAZ-UHFFFAOYSA-N
XLogP4.69
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide with MolForge

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Related Compounds

2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylsulfonylacetamide
CID 162671520
CID 131844925
CID 131844925
methyl 2-[[5-amino-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 59763691
2-[[5-benzyl-4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 29383691
2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-tert-butylphenyl)sulfonylacetamide
CID 162654187
2-[[5-benzyl-4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(dicyclopropylmethyl)acetamide
CID 31052227
2-[[5-bromo-4-(5-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 59223210
bromo 2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 91527510
CID 89085992
CID 89085992
5-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-4-oxopentanoic acid
CID 58491004
N-benzyl-2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1316230
2-[[5-benzyl-4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylacetamide
CID 40608187

Frequently Asked Questions

What is the IUPAC name of 2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide?
The IUPAC name of 2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide (CID 90726939) is 2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide.
What is the SMILES notation for 2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide?
The canonical SMILES for 2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide is CC(=O)CNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C2CC2)c2ccccc12.
What is the InChIKey of 2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide?
The InChIKey is HKEXOWQVMFHXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-18(32)16-28-26(33)17-34-27-30-29-25(15-19-7-3-2-4-8-19)31(27)24-14-13-21(20-11-12-20)22-9-5-6-10-23(22)24/h2-10,13-14,20H,11-12,15-17H2,1H3,(H,28,33).
What are the key properties of 2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide?
2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide has a molecular weight of 470.60 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-benzyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 90726939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).