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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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).