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

C17H18N6OS — CID 38679896

IUPAC3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H18N6OS/c1-22(2)14-8-4-6-12(10-14)16(24)18-13-7-5-9-15(11-13)23-17(25-3)19-20-21-23/h4-11H,1-3H3,(H,18,24)
InChIKeyKOTNQTMESWDDTI-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.70
Rot. Bonds5

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

3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide (PubChem CID 38679896) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
PubChem CID38679896
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2cccc(N(C)C)c2)c1
InChIInChI=1S/C17H18N6OS/c1-22(2)14-8-4-6-12(10-14)16(24)18-13-7-5-9-15(11-13)23-17(25-3)19-20-21-23/h4-11H,1-3H3,(H,18,24)
InChIKeyKOTNQTMESWDDTI-UHFFFAOYSA-N
XLogP2.70
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
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-bromo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-nitrobenzamide
CID 39127432
3-(diethylsulfamoyl)-4-fluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55608986
1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78860229
2-butyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 38680986
5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 39126999
4-fluoro-2-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55966320
N-[2-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-2-oxo-1-phenylethyl]benzamide
CID 56509027
1-(3-methoxyphenyl)-5-methyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]triazole-4-carboxamide
CID 55670673
3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 55608971

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide (CID 38679896) is 3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide is CSc1nnnn1-c1cccc(NC(=O)c2cccc(N(C)C)c2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The InChIKey is KOTNQTMESWDDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-22(2)14-8-4-6-12(10-14)16(24)18-13-7-5-9-15(11-13)23-17(25-3)19-20-21-23/h4-11H,1-3H3,(H,18,24).
What are the key properties of 3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide has a molecular weight of 354.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 38679896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).