N-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide

C11H13N5OS — CID 716699

IUPACN-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide
SMILESCN(C(=O)CSc1nnn(C)n1)c1ccccc1
InChIInChI=1S/C11H13N5OS/c1-15(9-6-4-3-5-7-9)10(17)8-18-11-12-14-16(2)13-11/h3-7H,8H2,1-2H3
InChIKeySZOURXBLRXBDAR-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.97
Rot. Bonds4

About N-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide

N-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide (PubChem CID 716699) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is N-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide
PubChem CID716699
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC NameN-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide
SMILESCN(C(=O)CSc1nnn(C)n1)c1ccccc1
InChIInChI=1S/C11H13N5OS/c1-15(9-6-4-3-5-7-9)10(17)8-18-11-12-14-16(2)13-11/h3-7H,8H2,1-2H3
InChIKeySZOURXBLRXBDAR-UHFFFAOYSA-N
XLogP0.97
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of N-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide (CID 716699) is N-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide is CN(C(=O)CSc1nnn(C)n1)c1ccccc1.
What is the InChIKey of N-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide?
The InChIKey is SZOURXBLRXBDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-15(9-6-4-3-5-7-9)10(17)8-18-11-12-14-16(2)13-11/h3-7H,8H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide?
N-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide has a molecular weight of 263.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyltetrazol-5-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 716699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).