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

C18H17N5O2S — CID 1096329

IUPACN-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ncnn2-c2ccccc2)cc1
InChIInChI=1S/C18H17N5O2S/c1-13(24)21-14-7-9-15(10-8-14)22-17(25)11-26-18-19-12-20-23(18)16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyRAESXHNRMHZWEB-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.96
Rot. Bonds6

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

N-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1096329) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1096329
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2ncnn2-c2ccccc2)cc1
InChIInChI=1S/C18H17N5O2S/c1-13(24)21-14-7-9-15(10-8-14)22-17(25)11-26-18-19-12-20-23(18)16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyRAESXHNRMHZWEB-UHFFFAOYSA-N
XLogP2.96
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9458717
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9458727
N-(4-acetamidophenyl)-2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 980289
N-(4-acetamidophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4543308
N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
N-(4-tert-butylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 982894
N-(4-acetamidophenyl)-2-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 23406982
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405245
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 3912516
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 788503
N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 882650
N-(4-acetamidophenyl)-2-[[4-(3,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 35395797

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1096329) is N-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(=O)Nc1ccc(NC(=O)CSc2ncnn2-c2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is RAESXHNRMHZWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-13(24)21-14-7-9-15(10-8-14)22-17(25)11-26-18-19-12-20-23(18)16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1096329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).