N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide

C17H19N5OS — CID 42540851

IUPACN,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(C)s2)cc(-n2cnnn2)c1
InChIInChI=1S/C17H19N5OS/c1-4-21(5-2)17(23)14-8-13(16-7-6-12(3)24-16)9-15(10-14)22-11-18-19-20-22/h6-11H,4-5H2,1-3H3
InChIKeyXEUFFGJYQXZLDW-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.18
Rot. Bonds5

About N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide

N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide (PubChem CID 42540851) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide
PubChem CID42540851
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(C)s2)cc(-n2cnnn2)c1
InChIInChI=1S/C17H19N5OS/c1-4-21(5-2)17(23)14-8-13(16-7-6-12(3)24-16)9-15(10-14)22-11-18-19-20-22/h6-11H,4-5H2,1-3H3
InChIKeyXEUFFGJYQXZLDW-UHFFFAOYSA-N
XLogP3.18
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-N-methyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide
CID 45168283
N,N-diethyl-3-(tetrazol-1-yl)-5-(2,3,4-trimethoxyphenyl)benzamide
CID 42421765
N-ethyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 56859401
3-(3,4-dimethoxyphenyl)-N-ethyl-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)benzamide
CID 26347123
N-[2-(diethylamino)ethyl]-N-methyl-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 42500060
N-butyl-N-ethyl-3-(tetrazol-1-yl)benzamide
CID 78785165
3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methyl-5-(tetrazol-1-yl)benzamide
CID 29211076
3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 129154966
N,N-dibenzyl-3-(tetrazol-1-yl)benzamide
CID 51147950
3-(3-methylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118759932
N-(2-hydroxy-1-phenylethyl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 76642992
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide (CID 42540851) is N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide is CCN(CC)C(=O)c1cc(-c2ccc(C)s2)cc(-n2cnnn2)c1.
What is the InChIKey of N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is XEUFFGJYQXZLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-4-21(5-2)17(23)14-8-13(16-7-6-12(3)24-16)9-15(10-14)22-11-18-19-20-22/h6-11H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide?
N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 341.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(5-methylthiophen-2-yl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42540851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).