N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide

C17H17N5OS — CID 46377493

IUPACN-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(-n3nnnc3SC)cc2)cc1
InChIInChI=1S/C17H17N5OS/c1-3-12-4-8-14(9-5-12)18-16(23)13-6-10-15(11-7-13)22-17(24-2)19-20-21-22/h4-11H,3H2,1-2H3,(H,18,23)
InChIKeyDOYMDMOKSWIRKX-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.20
Rot. Bonds5

About N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide

N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide (PubChem CID 46377493) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide
PubChem CID46377493
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(-n3nnnc3SC)cc2)cc1
InChIInChI=1S/C17H17N5OS/c1-3-12-4-8-14(9-5-12)18-16(23)13-6-10-15(11-7-13)22-17(24-2)19-20-21-22/h4-11H,3H2,1-2H3,(H,18,23)
InChIKeyDOYMDMOKSWIRKX-UHFFFAOYSA-N
XLogP3.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide
CID 46377491
N-(4-chlorophenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
CID 46377540
N-(4-ethylphenyl)-2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 18874225
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
N-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 555650
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
ethyl 2-[[4-(5-methylsulfanyltetrazol-1-yl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 20971498
N-(3-acetylphenyl)-4-[5-[(4-fluorophenyl)methylsulfanyl]tetrazol-1-yl]benzamide
CID 46377534
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
4-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 9073713
(2R)-1-(4-ethylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 9407742

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide?
The IUPAC name of N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide (CID 46377493) is N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide is CCc1ccc(NC(=O)c2ccc(-n3nnnc3SC)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide?
The InChIKey is DOYMDMOKSWIRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-3-12-4-8-14(9-5-12)18-16(23)13-6-10-15(11-7-13)22-17(24-2)19-20-21-22/h4-11H,3H2,1-2H3,(H,18,23).
What are the key properties of N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide?
N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide has a molecular weight of 339.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide is sourced from PubChem (CID 46377493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).