2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

C18H19N5O2S — CID 644948

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C18H19N5O2S/c1-13-8-9-16(25-2)15(10-13)19-17(24)12-26-18-20-21-22-23(18)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,24)
InChIKeyCKQUDGUKOIEHOC-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.77
Rot. Bonds7

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 644948) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID644948
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C18H19N5O2S/c1-13-8-9-16(25-2)15(10-13)19-17(24)12-26-18-20-21-22-23(18)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,24)
InChIKeyCKQUDGUKOIEHOC-UHFFFAOYSA-N
XLogP2.77
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (CID 644948) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CSc1nnnn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is CKQUDGUKOIEHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-13-8-9-16(25-2)15(10-13)19-17(24)12-26-18-20-21-22-23(18)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,24).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 644948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).