N-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C17H16N4OS — CID 2302902

IUPACN-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16N4OS/c22-15(11-23-17-18-12-19-21-17)20-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,16H,11H2,(H,20,22)(H,18,19,21)
InChIKeyLNZDYHCKONTAEP-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.80
Rot. Bonds6

About N-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2302902) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2302902
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16N4OS/c22-15(11-23-17-18-12-19-21-17)20-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,16H,11H2,(H,20,22)(H,18,19,21)
InChIKeyLNZDYHCKONTAEP-UHFFFAOYSA-N
XLogP2.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2365086
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-methylacetamide
CID 2375395
N-[(4-methylphenyl)methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2410322
N-benzyl-N-tert-butyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2410369
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4058851
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 4688103
N-benzyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 17395720
N-tert-Butyl-2-[4-(4-methyl-benzylamino)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 645178
2-(4-Benzylamino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-tert-butyl-acetamide
CID 653197
N-benzyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 767927
2-(4-methyl(1,2,4-triazol-3-ylthio))-N-benzylacetamide
CID 855554
N-tert-butyl-2-[[4-(naphthalen-1-ylmethylamino)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1017372

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2302902) is N-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is LNZDYHCKONTAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-15(11-23-17-18-12-19-21-17)20-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,16H,11H2,(H,20,22)(H,18,19,21).
What are the key properties of N-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 324.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2302902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).