N-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide

C22H19FN6O3S — CID 25253261

IUPACN-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide
SMILESCS(=O)(=O)c1ccc(-c2cc(C(=O)NCCc3ccccc3F)cc(-n3cnnn3)c2)nc1
InChIInChI=1S/C22H19FN6O3S/c1-33(31,32)19-6-7-21(25-13-19)16-10-17(12-18(11-16)29-14-26-27-28-29)22(30)24-9-8-15-4-2-3-5-20(15)23/h2-7,10-14H,8-9H2,1H3,(H,24,30)
InChIKeyFJCIBCLERRBYNK-UHFFFAOYSA-N
MW466.50 g/mol
LogP2.24
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide

N-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 25253261) has the molecular formula C22H19FN6O3S and a molecular weight of 466.50 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide
PubChem CID25253261
Molecular FormulaC22H19FN6O3S
Molecular Weight466.50 g/mol
Exact Mass466.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide
SMILESCS(=O)(=O)c1ccc(-c2cc(C(=O)NCCc3ccccc3F)cc(-n3cnnn3)c2)nc1
InChIInChI=1S/C22H19FN6O3S/c1-33(31,32)19-6-7-21(25-13-19)16-10-17(12-18(11-16)29-14-26-27-28-29)22(30)24-9-8-15-4-2-3-5-20(15)23/h2-7,10-14H,8-9H2,1H3,(H,24,30)
InChIKeyFJCIBCLERRBYNK-UHFFFAOYSA-N
XLogP2.24
TPSA119.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601437
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CID 25252796
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylsulfanylphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252658
N-benzyl-3-phenyl-5-(tetrazol-1-yl)benzamide;ethane
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CID 31930638
N-[2-(2-fluorophenyl)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685957
3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide
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3-(2,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(tetrazol-1-yl)benzamide
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N-[2-(2-fluorophenyl)ethyl]-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
CID 55778982
(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33195281
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,3-diphenylpropyl)-5-(tetrazol-1-yl)benzamide
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N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide (CID 25253261) is N-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide is CS(=O)(=O)c1ccc(-c2cc(C(=O)NCCc3ccccc3F)cc(-n3cnnn3)c2)nc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is FJCIBCLERRBYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O3S/c1-33(31,32)19-6-7-21(25-13-19)16-10-17(12-18(11-16)29-14-26-27-28-29)22(30)24-9-8-15-4-2-3-5-20(15)23/h2-7,10-14H,8-9H2,1H3,(H,24,30).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide?
N-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 466.50 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-3-(5-methylsulfonyl-2-pyridinyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 25253261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).