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

C24H19N5OS2 — CID 55964665

IUPACN-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESO=C(NCc1csc2ccccc12)c1ccccc1SCc1nnnn1-c1ccccc1
InChIInChI=1S/C24H19N5OS2/c30-24(25-14-17-15-31-21-12-6-4-10-19(17)21)20-11-5-7-13-22(20)32-16-23-26-27-28-29(23)18-8-2-1-3-9-18/h1-13,15H,14,16H2,(H,25,30)
InChIKeyPAQWDGRSGFKTKJ-UHFFFAOYSA-N
MW457.58 g/mol
LogP5.10
Rot. Bonds7

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

N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (PubChem CID 55964665) has the molecular formula C24H19N5OS2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
PubChem CID55964665
Molecular FormulaC24H19N5OS2
Molecular Weight457.58 g/mol
Exact Mass457.10
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESO=C(NCc1csc2ccccc12)c1ccccc1SCc1nnnn1-c1ccccc1
InChIInChI=1S/C24H19N5OS2/c30-24(25-14-17-15-31-21-12-6-4-10-19(17)21)20-11-5-7-13-22(20)32-16-23-26-27-28-29(23)18-8-2-1-3-9-18/h1-13,15H,14,16H2,(H,25,30)
InChIKeyPAQWDGRSGFKTKJ-UHFFFAOYSA-N
XLogP5.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55406223
N-[(1-methylbenzimidazol-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55494907
N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 51217100
N-[(2R)-2-(ethylamino)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 120654010
N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55556542
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 39913535
N-dibenzofuran-3-yl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55967239
N-(5-benzyl-1,3-thiazol-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 112795860
N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405761
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405690
N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405666
2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide
CID 18565660

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (CID 55964665) is N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is O=C(NCc1csc2ccccc12)c1ccccc1SCc1nnnn1-c1ccccc1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is PAQWDGRSGFKTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS2/c30-24(25-14-17-15-31-21-12-6-4-10-19(17)21)20-11-5-7-13-22(20)32-16-23-26-27-28-29(23)18-8-2-1-3-9-18/h1-13,15H,14,16H2,(H,25,30).
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 457.58 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55964665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).