N-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

C19H19N5O2S — CID 18140096

IUPACN-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CSc2n[nH]c(C)n2)c1
InChIInChI=1S/C19H19N5O2S/c1-12-6-5-7-14(10-12)21-18(26)15-8-3-4-9-16(15)22-17(25)11-27-19-20-13(2)23-24-19/h3-10H,11H2,1-2H3,(H,21,26)(H,22,25)(H,20,23,24)
InChIKeyOBHSNIFCGYJLPY-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.40
Rot. Bonds6

About N-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide

N-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 18140096) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID18140096
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CSc2n[nH]c(C)n2)c1
InChIInChI=1S/C19H19N5O2S/c1-12-6-5-7-14(10-12)21-18(26)15-8-3-4-9-16(15)22-17(25)11-27-19-20-13(2)23-24-19/h3-10H,11H2,1-2H3,(H,21,26)(H,22,25)(H,20,23,24)
InChIKeyOBHSNIFCGYJLPY-UHFFFAOYSA-N
XLogP3.40
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

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N-(2,3-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
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N-(3-methylphenyl)-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
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2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
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N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
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N-(3-methylphenyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide (CID 18140096) is N-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2n[nH]c(C)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is OBHSNIFCGYJLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-12-6-5-7-14(10-12)21-18(26)15-8-3-4-9-16(15)22-17(25)11-27-19-20-13(2)23-24-19/h3-10H,11H2,1-2H3,(H,21,26)(H,22,25)(H,20,23,24).
What are the key properties of N-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide?
N-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 381.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 18140096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).