2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide

C20H22N4O2S — CID 17139437

IUPAC2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
SMILESCC(O)Cc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C
InChIInChI=1S/C20H22N4O2S/c1-14(25)12-18-22-23-20(24(18)2)27-13-19(26)21-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11,14,25H,12-13H2,1-2H3,(H,21,26)
InChIKeyHWXGMIPFZYNTOS-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.14
Rot. Bonds7

About 2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide

2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide (PubChem CID 17139437) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
PubChem CID17139437
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
SMILESCC(O)Cc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C
InChIInChI=1S/C20H22N4O2S/c1-14(25)12-18-22-23-20(24(18)2)27-13-19(26)21-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11,14,25H,12-13H2,1-2H3,(H,21,26)
InChIKeyHWXGMIPFZYNTOS-UHFFFAOYSA-N
XLogP3.14
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylphenyl)acetamide
CID 949151
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 3167043
2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 2947078
2-[[5-[(2S)-2-hydroxypropyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 28947113
2-[[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 19716379
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 859356
N-(2-ethylphenyl)-2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1303761
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8004014
2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
CID 40623216
N-[[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 126163095
N-(2-chlorophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1092241
N-[[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 126335799

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide (CID 17139437) is 2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide is CC(O)Cc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C.
What is the InChIKey of 2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide?
The InChIKey is HWXGMIPFZYNTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14(25)12-18-22-23-20(24(18)2)27-13-19(26)21-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11,14,25H,12-13H2,1-2H3,(H,21,26).
What are the key properties of 2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide?
2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-hydroxypropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 17139437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).