2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide

C14H19N5OS — CID 2900412

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)Sc2nnnn2C)c(C)c1
InChIInChI=1S/C14H19N5OS/c1-8-6-9(2)12(10(3)7-8)15-13(20)11(4)21-14-16-17-18-19(14)5/h6-7,11H,1-5H3,(H,15,20)
InChIKeyCWSVQLYPDGWHNT-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.25
Rot. Bonds4

About 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide

2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 2900412) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID2900412
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)Sc2nnnn2C)c(C)c1
InChIInChI=1S/C14H19N5OS/c1-8-6-9(2)12(10(3)7-8)15-13(20)11(4)21-14-16-17-18-19(14)5/h6-7,11H,1-5H3,(H,15,20)
InChIKeyCWSVQLYPDGWHNT-UHFFFAOYSA-N
XLogP2.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide (CID 2900412) is 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)Sc2nnnn2C)c(C)c1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is CWSVQLYPDGWHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-8-6-9(2)12(10(3)7-8)15-13(20)11(4)21-14-16-17-18-19(14)5/h6-7,11H,1-5H3,(H,15,20).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 305.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 2900412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).