N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

C12H15N5O2S — CID 665963

IUPACN-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCOc1ccccc1NC(=O)CCSc1nnnn1C
InChIInChI=1S/C12H15N5O2S/c1-17-12(14-15-16-17)20-8-7-11(18)13-9-5-3-4-6-10(9)19-2/h3-6H,7-8H2,1-2H3,(H,13,18)
InChIKeyWVJKZJUTVOLOGS-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.34
Rot. Bonds6

About N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 665963) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID665963
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCOc1ccccc1NC(=O)CCSc1nnnn1C
InChIInChI=1S/C12H15N5O2S/c1-17-12(14-15-16-17)20-8-7-11(18)13-9-5-3-4-6-10(9)19-2/h3-6H,7-8H2,1-2H3,(H,13,18)
InChIKeyWVJKZJUTVOLOGS-UHFFFAOYSA-N
XLogP1.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 665963) is N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is COc1ccccc1NC(=O)CCSc1nnnn1C.
What is the InChIKey of N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is WVJKZJUTVOLOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-17-12(14-15-16-17)20-8-7-11(18)13-9-5-3-4-6-10(9)19-2/h3-6H,7-8H2,1-2H3,(H,13,18).
What are the key properties of N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 293.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 665963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).