N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide

C22H16N6OS — CID 55405761

IUPACN-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESN#Cc1cccc(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C22H16N6OS/c23-14-16-7-6-8-17(13-16)24-22(29)19-11-4-5-12-20(19)30-15-21-25-26-27-28(21)18-9-2-1-3-10-18/h1-13H,15H2,(H,24,29)
InChIKeyBQPSNVZUMJFSRI-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.08
Rot. Bonds6

About N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide

N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (PubChem CID 55405761) has the molecular formula C22H16N6OS and a molecular weight of 412.48 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
PubChem CID55405761
Molecular FormulaC22H16N6OS
Molecular Weight412.48 g/mol
Exact Mass412.11
IUPAC NameN-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESN#Cc1cccc(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C22H16N6OS/c23-14-16-7-6-8-17(13-16)24-22(29)19-11-4-5-12-20(19)30-15-21-25-26-27-28(21)18-9-2-1-3-10-18/h1-13H,15H2,(H,24,29)
InChIKeyBQPSNVZUMJFSRI-UHFFFAOYSA-N
XLogP4.08
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55523727
N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55967239
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55678109
N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55406223
N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405666
N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 51217100
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]benzamide
CID 55961384
2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)benzamide
CID 112760767
1-(3-cyanophenyl)-3-[1-(1-phenyltetrazol-5-yl)ethyl]urea
CID 56791403
N-(5-benzyl-1,3-thiazol-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 112795860
N-[(1-methylbenzimidazol-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55494907
2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 112768763

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (CID 55405761) is N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is N#Cc1cccc(NC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is BQPSNVZUMJFSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6OS/c23-14-16-7-6-8-17(13-16)24-22(29)19-11-4-5-12-20(19)30-15-21-25-26-27-28(21)18-9-2-1-3-10-18/h1-13H,15H2,(H,24,29).
What are the key properties of N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 412.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55405761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).