N-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

C19H19N5O3S — CID 2099816

IUPACN-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1
InChIInChI=1S/C19H19N5O3S/c1-24-12-20-23-19(24)28-11-17(25)21-14-9-7-13(8-10-14)18(26)22-15-5-3-4-6-16(15)27-2/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyNPPGLACOGCEOJW-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.81
Rot. Bonds7

About N-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

N-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 2099816) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID2099816
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1
InChIInChI=1S/C19H19N5O3S/c1-24-12-20-23-19(24)28-11-17(25)21-14-9-7-13(8-10-14)18(26)22-15-5-3-4-6-16(15)27-2/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyNPPGLACOGCEOJW-UHFFFAOYSA-N
XLogP2.81
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide (CID 2099816) is N-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is NPPGLACOGCEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-24-12-20-23-19(24)28-11-17(25)21-14-9-7-13(8-10-14)18(26)22-15-5-3-4-6-16(15)27-2/h3-10,12H,11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 397.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 2099816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).