N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide

C15H13N5OS — CID 38679670

IUPACN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C15H13N5OS/c1-22-15-17-18-19-20(15)13-9-5-8-12(10-13)16-14(21)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,21)
InChIKeyUXFGKRDKYFLKCE-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.64
Rot. Bonds4

About N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide (PubChem CID 38679670) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
PubChem CID38679670
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C15H13N5OS/c1-22-15-17-18-19-20(15)13-9-5-8-12(10-13)16-14(21)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,21)
InChIKeyUXFGKRDKYFLKCE-UHFFFAOYSA-N
XLogP2.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679896
N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide
CID 56509027
4-benzamido-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 47033942
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 38680315
4-bromo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-nitrobenzamide
CID 39127432
4-fluoro-2-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55966320
5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 39126999
3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 55608971
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide (CID 38679670) is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide is CSc1nnnn1-c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The InChIKey is UXFGKRDKYFLKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-22-15-17-18-19-20(15)13-9-5-8-12(10-13)16-14(21)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,21).
What are the key properties of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide has a molecular weight of 311.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 38679670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).