N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide

C23H20N6O2S — CID 56509027

IUPACN-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide
SMILESCSc1nnnn1-c1cccc(NC(=O)C(NC(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H20N6O2S/c1-32-23-26-27-28-29(23)19-14-8-13-18(15-19)24-22(31)20(16-9-4-2-5-10-16)25-21(30)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,24,31)(H,25,30)
InChIKeyQQBMWEIFETWNLX-UHFFFAOYSA-N
MW444.52 g/mol
LogP3.49
Rot. Bonds7

About N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide

N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide (PubChem CID 56509027) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide
PubChem CID56509027
Molecular FormulaC23H20N6O2S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC NameN-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide
SMILESCSc1nnnn1-c1cccc(NC(=O)C(NC(=O)c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H20N6O2S/c1-32-23-26-27-28-29(23)19-14-8-13-18(15-19)24-22(31)20(16-9-4-2-5-10-16)25-21(30)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,24,31)(H,25,30)
InChIKeyQQBMWEIFETWNLX-UHFFFAOYSA-N
XLogP3.49
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 47033942
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679896
(2S)-N-(3-acetylphenyl)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2430883
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)propanamide
CID 46572745
(2S)-2-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide
CID 94786814
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 55608809
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 134034450
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 38680315

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide (CID 56509027) is N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide is CSc1nnnn1-c1cccc(NC(=O)C(NC(=O)c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide?
The InChIKey is QQBMWEIFETWNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S/c1-32-23-26-27-28-29(23)19-14-8-13-18(15-19)24-22(31)20(16-9-4-2-5-10-16)25-21(30)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,24,31)(H,25,30).
What are the key properties of N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide?
N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide has a molecular weight of 444.52 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 56509027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).