N-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide

C18H20N4O2S — CID 97445327

IUPACN-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1nc(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C18H20N4O2S/c1-14(21-25(2,23)24)18-19-17(16-11-7-4-8-12-16)20-22(18)13-15-9-5-3-6-10-15/h3-12,14,21H,13H2,1-2H3/t14-/m1/s1
InChIKeyNFXZCZZUODMKFF-CQSZACIVSA-N
MW356.45 g/mol
LogP2.60
Rot. Bonds6

About N-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide

N-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide (PubChem CID 97445327) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
PubChem CID97445327
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1nc(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C18H20N4O2S/c1-14(21-25(2,23)24)18-19-17(16-11-7-4-8-12-16)20-22(18)13-15-9-5-3-6-10-15/h3-12,14,21H,13H2,1-2H3/t14-/m1/s1
InChIKeyNFXZCZZUODMKFF-CQSZACIVSA-N
XLogP2.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[2-[(4-chlorophenyl)methyl]-5-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide
CID 97444490
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-butan-2-yl]acetamide
CID 95062302
1-benzyl-3,5-bis[(1S)-1-methoxyethyl]-1,2,4-triazole
CID 102034682
2-benzyl-6-methyl-4-methylsulfonyl-5-phenylpyridazin-3-one
CID 118977463
N-[1-(2-benzyl-1,2,4-triazol-3-yl)-2-methylpropyl]-5-chlorothiophene-2-sulfonamide
CID 11269880
2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62723069
1-benzyl-4,5-diphenyl-2-propan-2-ylimidazole
CID 102274301
2-(2-benzyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)-N-[(1R)-1-phenylethyl]ethenesulfonamide
CID 91402072
2-(2-benzyl-5-oxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)-N-(1-phenylethyl)ethenesulfonamide
CID 73126676
N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 55123206
5-chloro-3-phenyl-1-propan-2-yl-1,2,4-triazole
CID 70372932
1-benzyl-5-methyl-2-phenylimidazole
CID 10467205

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide (CID 97445327) is N-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide is C[C@@H](NS(C)(=O)=O)c1nc(-c2ccccc2)nn1Cc1ccccc1.
What is the InChIKey of N-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
The InChIKey is NFXZCZZUODMKFF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-14(21-25(2,23)24)18-19-17(16-11-7-4-8-12-16)20-22(18)13-15-9-5-3-6-10-15/h3-12,14,21H,13H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide?
N-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 97445327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).