N-(2-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide

C18H19N5O2S — CID 6915437

IUPACN-(2-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(Sc1nnnn1C)c1ccccc1
InChIInChI=1S/C18H19N5O2S/c1-3-25-15-12-8-7-11-14(15)19-17(24)16(13-9-5-4-6-10-13)26-18-20-21-22-23(18)2/h4-12,16H,3H2,1-2H3,(H,19,24)
InChIKeySVUHCMXSGRUVSG-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.08
Rot. Bonds7

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

N-(2-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (PubChem CID 6915437) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
PubChem CID6915437
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-(2-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(Sc1nnnn1C)c1ccccc1
InChIInChI=1S/C18H19N5O2S/c1-3-25-15-12-8-7-11-14(15)19-17(24)16(13-9-5-4-6-10-13)26-18-20-21-22-23(18)2/h4-12,16H,3H2,1-2H3,(H,19,24)
InChIKeySVUHCMXSGRUVSG-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide (CID 6915437) is N-(2-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is CCOc1ccccc1NC(=O)C(Sc1nnnn1C)c1ccccc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
The InChIKey is SVUHCMXSGRUVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-3-25-15-12-8-7-11-14(15)19-17(24)16(13-9-5-4-6-10-13)26-18-20-21-22-23(18)2/h4-12,16H,3H2,1-2H3,(H,19,24).
What are the key properties of N-(2-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide?
N-(2-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide has a molecular weight of 369.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 6915437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).