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

C24H31N5OS — CID 43050713

IUPACN-[2-(diethylamino)-2-phenylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCN(CC)C(CNC(=O)CSc1nnc(-c2ccccc2)n1CC)c1ccccc1
InChIInChI=1S/C24H31N5OS/c1-4-28(5-2)21(19-13-9-7-10-14-19)17-25-22(30)18-31-24-27-26-23(29(24)6-3)20-15-11-8-12-16-20/h7-16,21H,4-6,17-18H2,1-3H3,(H,25,30)
InChIKeySQBYMIZNMRQBAE-UHFFFAOYSA-N
MW437.61 g/mol
LogP4.26
Rot. Bonds11

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

N-[2-(diethylamino)-2-phenylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 43050713) has the molecular formula C24H31N5OS and a molecular weight of 437.61 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID43050713
Molecular FormulaC24H31N5OS
Molecular Weight437.61 g/mol
Exact Mass437.22
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCN(CC)C(CNC(=O)CSc1nnc(-c2ccccc2)n1CC)c1ccccc1
InChIInChI=1S/C24H31N5OS/c1-4-28(5-2)21(19-13-9-7-10-14-19)17-25-22(30)18-31-24-27-26-23(29(24)6-3)20-15-11-8-12-16-20/h7-16,21H,4-6,17-18H2,1-3H3,(H,25,30)
InChIKeySQBYMIZNMRQBAE-UHFFFAOYSA-N
XLogP4.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-benzyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1071688
N-tert-butyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1154390
N'-acetyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 7625313
N,N-diethyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1071679
N-benzyl-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1307316
4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)butanamide
CID 42730710
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 40705514
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 8883412
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide
CID 7181840
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8883228
N-(2,6-difluorophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2618492
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 2193185

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 43050713) is N-[2-(diethylamino)-2-phenylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCN(CC)C(CNC(=O)CSc1nnc(-c2ccccc2)n1CC)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is SQBYMIZNMRQBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5OS/c1-4-28(5-2)21(19-13-9-7-10-14-19)17-25-22(30)18-31-24-27-26-23(29(24)6-3)20-15-11-8-12-16-20/h7-16,21H,4-6,17-18H2,1-3H3,(H,25,30).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[2-(diethylamino)-2-phenylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 437.61 g/mol, XLogP of 4.26, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 43050713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).