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

C18H19N5O3S2 — CID 5112268

IUPAC2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(SCC(N)=O)nnc1-c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19N5O3S2/c1-2-23-17(20-21-18(23)27-12-16(19)24)13-8-10-14(11-9-13)22-28(25,26)15-6-4-3-5-7-15/h3-11,22H,2,12H2,1H3,(H2,19,24)
InChIKeyARRCXKUYKOKJDW-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.34
Rot. Bonds8

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

2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 5112268) has the molecular formula C18H19N5O3S2 and a molecular weight of 417.52 g/mol. Its IUPAC name is 2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID5112268
Molecular FormulaC18H19N5O3S2
Molecular Weight417.52 g/mol
Exact Mass417.09
IUPAC Name2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(SCC(N)=O)nnc1-c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19N5O3S2/c1-2-23-17(20-21-18(23)27-12-16(19)24)13-8-10-14(11-9-13)22-28(25,26)15-6-4-3-5-7-15/h3-11,22H,2,12H2,1H3,(H2,19,24)
InChIKeyARRCXKUYKOKJDW-UHFFFAOYSA-N
XLogP2.34
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[[5-[4-(benzenesulfonamido)phenyl]-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3190541
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 865377
N'-acetyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 7625313
2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide
CID 5296763
ethyl 2-[[5-(4-acetamidophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 8708304
N-(3,4-dimethylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 996620
2-[[5-(4-cyclopentyloxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19642272
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 5132162
N-tert-butyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1154390
N-benzyl-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1307316
2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3184358
N,N-diethyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1071679

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 5112268) is 2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCn1c(SCC(N)=O)nnc1-c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is ARRCXKUYKOKJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S2/c1-2-23-17(20-21-18(23)27-12-16(19)24)13-8-10-14(11-9-13)22-28(25,26)15-6-4-3-5-7-15/h3-11,22H,2,12H2,1H3,(H2,19,24).
What are the key properties of 2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 417.52 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(benzenesulfonamido)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 5112268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).