2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide

C25H21ClN4O2S — CID 3165922

IUPAC2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1ccccc1Cl
InChIInChI=1S/C25H21ClN4O2S/c1-2-17-10-6-9-15-21(17)27-22(31)16-33-25-28-23(18-11-4-3-5-12-18)29-30(25)24(32)19-13-7-8-14-20(19)26/h3-15H,2,16H2,1H3,(H,27,31)
InChIKeyBWHNHIROBWMTEQ-UHFFFAOYSA-N
MW476.99 g/mol
LogP5.58
Rot. Bonds7

About 2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide

2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide (PubChem CID 3165922) has the molecular formula C25H21ClN4O2S and a molecular weight of 476.99 g/mol. Its IUPAC name is 2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
PubChem CID3165922
Molecular FormulaC25H21ClN4O2S
Molecular Weight476.99 g/mol
Exact Mass476.11
IUPAC Name2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1ccccc1Cl
InChIInChI=1S/C25H21ClN4O2S/c1-2-17-10-6-9-15-21(17)27-22(31)16-33-25-28-23(18-11-4-3-5-12-18)29-30(25)24(32)19-13-7-8-14-20(19)26/h3-15H,2,16H2,1H3,(H,27,31)
InChIKeyBWHNHIROBWMTEQ-UHFFFAOYSA-N
XLogP5.58
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.99
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)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

N-(2-ethylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3543552
N-(2-chlorophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1092241
2-[[4-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 126111225
2-[[2-(3-methylbenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1374987
N-(2-ethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8731070
2-[(2-benzoyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3127733
2-[[2-(3-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3127739
N-(2-ethylphenyl)-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4017147
N-(2-ethylphenyl)-2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1317238
N-(2-ethylphenyl)-2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1303761
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6411103
2-(2-aminophenyl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1134166

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide (CID 3165922) is 2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide?
The InChIKey is BWHNHIROBWMTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2S/c1-2-17-10-6-9-15-21(17)27-22(31)16-33-25-28-23(18-11-4-3-5-12-18)29-30(25)24(32)19-13-7-8-14-20(19)26/h3-15H,2,16H2,1H3,(H,27,31).
What are the key properties of 2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide?
2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide has a molecular weight of 476.99 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 3165922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).