N-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide

C22H18N4O2S — CID 10201125

IUPACN-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CSc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H18N4O2S/c23-18-8-4-5-9-19(18)24-20(27)16-12-10-15(11-13-16)14-29-22-26-25-21(28-22)17-6-2-1-3-7-17/h1-13H,14,23H2,(H,24,27)
InChIKeySSFZJBIZFATNHN-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.86
Rot. Bonds6

About N-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide

N-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 10201125) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide
PubChem CID10201125
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC NameN-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CSc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H18N4O2S/c23-18-8-4-5-9-19(18)24-20(27)16-12-10-15(11-13-16)14-29-22-26-25-21(28-22)17-6-2-1-3-7-17/h1-13H,14,23H2,(H,24,27)
InChIKeySSFZJBIZFATNHN-UHFFFAOYSA-N
XLogP4.86
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide (CID 10201125) is N-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CSc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is SSFZJBIZFATNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c23-18-8-4-5-9-19(18)24-20(27)16-12-10-15(11-13-16)14-29-22-26-25-21(28-22)17-6-2-1-3-7-17/h1-13H,14,23H2,(H,24,27).
What are the key properties of N-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide?
N-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 402.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 10201125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).