N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide

C19H21N5OS — CID 131905838

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESCCn1cnnc1CCNC(=O)c1ccc(CSc2ccccn2)cc1
InChIInChI=1S/C19H21N5OS/c1-2-24-14-22-23-17(24)10-12-21-19(25)16-8-6-15(7-9-16)13-26-18-5-3-4-11-20-18/h3-9,11,14H,2,10,12-13H2,1H3,(H,21,25)
InChIKeyNRIKNQAYQNCEJM-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.96
Rot. Bonds8

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide (PubChem CID 131905838) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
PubChem CID131905838
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESCCn1cnnc1CCNC(=O)c1ccc(CSc2ccccn2)cc1
InChIInChI=1S/C19H21N5OS/c1-2-24-14-22-23-17(24)10-12-21-19(25)16-8-6-15(7-9-16)13-26-18-5-3-4-11-20-18/h3-9,11,14H,2,10,12-13H2,1H3,(H,21,25)
InChIKeyNRIKNQAYQNCEJM-UHFFFAOYSA-N
XLogP2.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131949243
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 50969609
N-[2-(6-benzylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide
CID 7207571
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide
CID 138810278
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72928708
3-[(3-bromobenzoyl)amino]-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 86935598
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(2-methylprop-2-enoxy)benzamide
CID 46987909
4-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide;dihydrochloride
CID 119855022
(2S,4S)-1-methyl-4-[[4-(pyridin-2-ylsulfanylmethyl)benzoyl]amino]pyrrolidine-2-carboxylic acid
CID 118780572
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide
CID 56744729
N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 980324
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 71998642

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide (CID 131905838) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide is CCn1cnnc1CCNC(=O)c1ccc(CSc2ccccn2)cc1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The InChIKey is NRIKNQAYQNCEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-2-24-14-22-23-17(24)10-12-21-19(25)16-8-6-15(7-9-16)13-26-18-5-3-4-11-20-18/h3-9,11,14H,2,10,12-13H2,1H3,(H,21,25).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide has a molecular weight of 367.48 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 131905838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).