N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide

C18H17N5O3S — CID 2102209

IUPACN-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ncn[nH]2)cc1
InChIInChI=1S/C18H17N5O3S/c1-26-15-5-3-2-4-14(15)22-17(25)12-6-8-13(9-7-12)21-16(24)10-27-18-19-11-20-23-18/h2-9,11H,10H2,1H3,(H,21,24)(H,22,25)(H,19,20,23)
InChIKeyHNHGHIMODTWYLI-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.80
Rot. Bonds7

About N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide

N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide (PubChem CID 2102209) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
PubChem CID2102209
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC NameN-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ncn[nH]2)cc1
InChIInChI=1S/C18H17N5O3S/c1-26-15-5-3-2-4-14(15)22-17(25)12-6-8-13(9-7-12)21-16(24)10-27-18-19-11-20-23-18/h2-9,11H,10H2,1H3,(H,21,24)(H,22,25)(H,19,20,23)
InChIKeyHNHGHIMODTWYLI-UHFFFAOYSA-N
XLogP2.80
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide (CID 2102209) is N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ncn[nH]2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide?
The InChIKey is HNHGHIMODTWYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-26-15-5-3-2-4-14(15)22-17(25)12-6-8-13(9-7-12)21-16(24)10-27-18-19-11-20-23-18/h2-9,11H,10H2,1H3,(H,21,24)(H,22,25)(H,19,20,23).
What are the key properties of N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide has a molecular weight of 383.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide is sourced from PubChem (CID 2102209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).