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

C15H21N5O2S — CID 27260951

IUPAC2-[[4-ethyl-5-[(1R)-1-(2-methoxyanilino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(SCC(N)=O)nnc1[C@@H](C)Nc1ccccc1OC
InChIInChI=1S/C15H21N5O2S/c1-4-20-14(18-19-15(20)23-9-13(16)21)10(2)17-11-7-5-6-8-12(11)22-3/h5-8,10,17H,4,9H2,1-3H3,(H2,16,21)/t10-/m1/s1
InChIKeyMZSXSAQYWJDKGB-SNVBAGLBSA-N
MW335.43 g/mol
LogP2.06
Rot. Bonds8

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

2-[[4-ethyl-5-[(1R)-1-(2-methoxyanilino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 27260951) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[[4-ethyl-5-[(1R)-1-(2-methoxyanilino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-ethyl-5-[(1R)-1-(2-methoxyanilino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID27260951
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-[[4-ethyl-5-[(1R)-1-(2-methoxyanilino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCn1c(SCC(N)=O)nnc1[C@@H](C)Nc1ccccc1OC
InChIInChI=1S/C15H21N5O2S/c1-4-20-14(18-19-15(20)23-9-13(16)21)10(2)17-11-7-5-6-8-12(11)22-3/h5-8,10,17H,4,9H2,1-3H3,(H2,16,21)/t10-/m1/s1
InChIKeyMZSXSAQYWJDKGB-SNVBAGLBSA-N
XLogP2.06
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[(1S)-1-[5-(2-amino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 40823590
2-[[4-ethyl-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17306996
2-[[4-ethyl-5-[1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 43869104
N-(2-bromophenyl)-2-[[4-ethyl-5-[1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43868962
2-[[4-ethyl-5-[1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
CID 43869119
N-(3-chloro-2-methylphenyl)-2-[[4-ethyl-5-[1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43869053
2-[[4-ethyl-5-[1-(4-fluorophenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6466069
2-[[4-ethyl-5-[1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
CID 43868984
2-chloro-N-[(1S)-1-[4-ethyl-5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide
CID 126364065
2-[[5-[1-(2-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43869451
N-(4-acetamido-3-methylphenyl)-2-[[4-ethyl-5-[1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43869034
N-[1-[5-(2-amino-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichlorobenzamide
CID 17019433

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-5-[(1R)-1-(2-methoxyanilino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-ethyl-5-[(1R)-1-(2-methoxyanilino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 27260951) is 2-[[4-ethyl-5-[(1R)-1-(2-methoxyanilino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-ethyl-5-[(1R)-1-(2-methoxyanilino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-ethyl-5-[(1R)-1-(2-methoxyanilino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCn1c(SCC(N)=O)nnc1[C@@H](C)Nc1ccccc1OC.
What is the InChIKey of 2-[[4-ethyl-5-[(1R)-1-(2-methoxyanilino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is MZSXSAQYWJDKGB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-4-20-14(18-19-15(20)23-9-13(16)21)10(2)17-11-7-5-6-8-12(11)22-3/h5-8,10,17H,4,9H2,1-3H3,(H2,16,21)/t10-/m1/s1.
What are the key properties of 2-[[4-ethyl-5-[(1R)-1-(2-methoxyanilino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide?
2-[[4-ethyl-5-[(1R)-1-(2-methoxyanilino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-5-[(1R)-1-(2-methoxyanilino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 27260951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).