N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide

C18H19N5O2S — CID 4878916

IUPACN-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(Sc1nnnn1C)c1ccccc1
InChIInChI=1S/C18H19N5O2S/c1-12-9-10-15(25-3)14(11-12)19-17(24)16(13-7-5-4-6-8-13)26-18-20-21-22-23(18)2/h4-11,16H,1-3H3,(H,19,24)
InChIKeyXPKYIOPXHASCFY-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.00
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide

N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (PubChem CID 4878916) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
PubChem CID4878916
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCOc1ccc(C)cc1NC(=O)C(Sc1nnnn1C)c1ccccc1
InChIInChI=1S/C18H19N5O2S/c1-12-9-10-15(25-3)14(11-12)19-17(24)16(13-7-5-4-6-8-13)26-18-20-21-22-23(18)2/h4-11,16H,1-3H3,(H,19,24)
InChIKeyXPKYIOPXHASCFY-UHFFFAOYSA-N
XLogP3.00
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (CID 4878916) is N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is COc1ccc(C)cc1NC(=O)C(Sc1nnnn1C)c1ccccc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The InChIKey is XPKYIOPXHASCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-12-9-10-15(25-3)14(11-12)19-17(24)16(13-7-5-4-6-8-13)26-18-20-21-22-23(18)2/h4-11,16H,1-3H3,(H,19,24).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide has a molecular weight of 369.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 4878916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).