2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide

C24H22N4OS — CID 17137312

IUPAC2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide
SMILESCCc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C24H22N4OS/c1-2-22-25-26-24(28(22)21-16-10-5-11-17-21)30-18-23(29)27(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-17H,2,18H2,1H3
InChIKeyKXPWAYKYZCSUJH-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.29
Rot. Bonds7

About 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide

2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide (PubChem CID 17137312) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide
PubChem CID17137312
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC Name2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide
SMILESCCc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C24H22N4OS/c1-2-22-25-26-24(28(22)21-16-10-5-11-17-21)30-18-23(29)27(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-17H,2,18H2,1H3
InChIKeyKXPWAYKYZCSUJH-UHFFFAOYSA-N
XLogP5.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide
CID 23406928
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide
CID 39919821
2-[[5-[(4-bromoanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide
CID 3133323
2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 6458996
propyl 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 17137329
3-butylsulfanyl-5-ethyl-4-phenyl-1,2,4-triazole
CID 17137295
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide
CID 1206532
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide
CID 40604888
N-(3-acetamidophenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17137145
2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile
CID 17137282
2-[[5-(2-methylsulfanylethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115391720
2-[[5-(2-ethoxyethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115391711

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide?
The IUPAC name of 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide (CID 17137312) is 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide.
What is the SMILES notation for 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide?
The canonical SMILES for 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide is CCc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide?
The InChIKey is KXPWAYKYZCSUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c1-2-22-25-26-24(28(22)21-16-10-5-11-17-21)30-18-23(29)27(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-17H,2,18H2,1H3.
What are the key properties of 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide?
2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide has a molecular weight of 414.53 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diphenylacetamide is sourced from PubChem (CID 17137312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).