N-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C19H20N6O2S — CID 2621309

IUPACN-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20N6O2S/c26-18(14-28-19-21-22-23-25(19)17-4-2-1-3-5-17)20-15-6-8-16(9-7-15)24-10-12-27-13-11-24/h1-9H,10-14H2,(H,20,26)
InChIKeyXFOHOXQBNMEMPR-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.23
Rot. Bonds6

About N-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2621309) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID2621309
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20N6O2S/c26-18(14-28-19-21-22-23-25(19)17-4-2-1-3-5-17)20-15-6-8-16(9-7-15)24-10-12-27-13-11-24/h1-9H,10-14H2,(H,20,26)
InChIKeyXFOHOXQBNMEMPR-UHFFFAOYSA-N
XLogP2.23
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 2621309) is N-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is XFOHOXQBNMEMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c26-18(14-28-19-21-22-23-25(19)17-4-2-1-3-5-17)20-15-6-8-16(9-7-15)24-10-12-27-13-11-24/h1-9H,10-14H2,(H,20,26).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 396.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2621309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).