2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide

C18H17N5O3S — CID 2633352

IUPAC2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)CSc1nnc(-c2ccncc2)n1C
InChIInChI=1S/C18H17N5O3S/c1-23-16(12-7-9-19-10-8-12)21-22-18(23)27-11-15(24)20-17(25)13-5-3-4-6-14(13)26-2/h3-10H,11H2,1-2H3,(H,20,24,25)
InChIKeyKQPRQIAOQSHERQ-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.93
Rot. Bonds6

About 2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide

2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide (PubChem CID 2633352) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide
PubChem CID2633352
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide
SMILESCOc1ccccc1C(=O)NC(=O)CSc1nnc(-c2ccncc2)n1C
InChIInChI=1S/C18H17N5O3S/c1-23-16(12-7-9-19-10-8-12)21-22-18(23)27-11-15(24)20-17(25)13-5-3-4-6-14(13)26-2/h3-10H,11H2,1-2H3,(H,20,24,25)
InChIKeyKQPRQIAOQSHERQ-UHFFFAOYSA-N
XLogP1.93
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide with MolForge

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Related Compounds

2-chloro-N-[4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]benzamide
CID 1439376
N-(4-methoxyphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1150544
2-methyl-N-[3-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]benzamide
CID 1439404
N-(2-methylpropylcarbamoyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2641371
2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7579612
2-methyl-N-[3-methyl-4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]benzamide
CID 1439413
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7895291
1-(2-methoxyphenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 18078961
N-[3-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]benzamide
CID 1439391
2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 7174259
2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone
CID 2030652
N-(3-methoxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1153812

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide (CID 2633352) is 2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide is COc1ccccc1C(=O)NC(=O)CSc1nnc(-c2ccncc2)n1C.
What is the InChIKey of 2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
The InChIKey is KQPRQIAOQSHERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-23-16(12-7-9-19-10-8-12)21-22-18(23)27-11-15(24)20-17(25)13-5-3-4-6-14(13)26-2/h3-10H,11H2,1-2H3,(H,20,24,25).
What are the key properties of 2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide has a molecular weight of 383.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide is sourced from PubChem (CID 2633352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).