N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C17H17N5O2S — CID 2616947

IUPACN-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C17H17N5O2S/c1-12-7-9-13(10-8-12)22-17(19-20-21-22)25-11-16(23)18-14-5-3-4-6-15(14)24-2/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyQXPBFAWSJHPGMS-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.71
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 2616947) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID2616947
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C17H17N5O2S/c1-12-7-9-13(10-8-12)22-17(19-20-21-22)25-11-16(23)18-14-5-3-4-6-15(14)24-2/h3-10H,11H2,1-2H3,(H,18,23)
InChIKeyQXPBFAWSJHPGMS-UHFFFAOYSA-N
XLogP2.71
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2573256
2-[1-(3-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 651644
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
CID 1262825
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
N-(4-methoxyphenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3140955
N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide
CID 644948
N-(2-Methoxy-phenyl)-2-(5-methyl-4-phenethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 646738
2-[4-(2-Ethoxy-phenyl)-5-p-tolyloxymethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 647755
N-(3-Acetylamino-phenyl)-2-[1-(3-methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 649509
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 649518

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 2616947) is N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is QXPBFAWSJHPGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-12-7-9-13(10-8-12)22-17(19-20-21-22)25-11-16(23)18-14-5-3-4-6-15(14)24-2/h3-10H,11H2,1-2H3,(H,18,23).
What are the key properties of N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 355.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 2616947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).