N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide

C25H25N5OS — CID 26359731

IUPACN-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide
SMILESCn1c(CCNC(=O)C(c2ccccc2)c2ccccc2)nnc1SCc1ccccn1
InChIInChI=1S/C25H25N5OS/c1-30-22(28-29-25(30)32-18-21-14-8-9-16-26-21)15-17-27-24(31)23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,16,23H,15,17-18H2,1H3,(H,27,31)
InChIKeyKITWXIMNCVQXMC-UHFFFAOYSA-N
MW443.58 g/mol
LogP3.99
Rot. Bonds9

About N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide

N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide (PubChem CID 26359731) has the molecular formula C25H25N5OS and a molecular weight of 443.58 g/mol. Its IUPAC name is N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide
PubChem CID26359731
Molecular FormulaC25H25N5OS
Molecular Weight443.58 g/mol
Exact Mass443.18
IUPAC NameN-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide
SMILESCn1c(CCNC(=O)C(c2ccccc2)c2ccccc2)nnc1SCc1ccccn1
InChIInChI=1S/C25H25N5OS/c1-30-22(28-29-25(30)32-18-21-14-8-9-16-26-21)15-17-27-24(31)23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,16,23H,15,17-18H2,1H3,(H,27,31)
InChIKeyKITWXIMNCVQXMC-UHFFFAOYSA-N
XLogP3.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide with MolForge

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Related Compounds

N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]pent-4-enamide
CID 42432645
(2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 26344967
4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 26348541
3-(3-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 26403563
3-amino-2-phenyl-N-(2-pyridin-2-ylethyl)-3-sulfanylidenepropanamide
CID 62876524
N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
CID 6489568
N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]naphthalene-1-carboxamide
CID 42429218
2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
(2S)-N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]oxolane-2-carboxamide
CID 7451478
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide (CID 26359731) is N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide is Cn1c(CCNC(=O)C(c2ccccc2)c2ccccc2)nnc1SCc1ccccn1.
What is the InChIKey of N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide?
The InChIKey is KITWXIMNCVQXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5OS/c1-30-22(28-29-25(30)32-18-21-14-8-9-16-26-21)15-17-27-24(31)23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,16,23H,15,17-18H2,1H3,(H,27,31).
What are the key properties of N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide?
N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide has a molecular weight of 443.58 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 26359731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).