N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide

C17H16N4O2S — CID 6401122

IUPACN-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CSc3cn[nH]n3)cc2)cc1
InChIInChI=1S/C17H16N4O2S/c1-23-15-8-6-14(7-9-15)19-17(22)13-4-2-12(3-5-13)11-24-16-10-18-21-20-16/h2-10H,11H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyVSMYSNMPXZPSCG-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.36
Rot. Bonds6

About N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide

N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide (PubChem CID 6401122) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide
PubChem CID6401122
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CSc3cn[nH]n3)cc2)cc1
InChIInChI=1S/C17H16N4O2S/c1-23-15-8-6-14(7-9-15)19-17(22)13-4-2-12(3-5-13)11-24-16-10-18-21-20-16/h2-10H,11H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyVSMYSNMPXZPSCG-UHFFFAOYSA-N
XLogP3.36
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
CID 1269728
4-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methoxyphenyl)benzamide
CID 16587918
N-(4-methoxyphenyl)-1-methylpyridin-1-ium-4-carboxamide
CID 1110822
4-(furan-2-ylmethylsulfanylmethyl)-N-(4-methoxyphenyl)benzamide
CID 1269729
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide
CID 86883709
4-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methoxyphenyl)benzamide
CID 16575563
4-methoxy-N-(1H-pyrazol-4-yl)benzamide
CID 43429414
N-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
CID 135223318
N-(4-methoxyphenyl)-4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 25309325
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide (CID 6401122) is N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide is COc1ccc(NC(=O)c2ccc(CSc3cn[nH]n3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide?
The InChIKey is VSMYSNMPXZPSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-23-15-8-6-14(7-9-15)19-17(22)13-4-2-12(3-5-13)11-24-16-10-18-21-20-16/h2-10H,11H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide?
N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide has a molecular weight of 340.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 6401122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).