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

C23H21N5OS — CID 55406223

IUPACN-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1SCc1nnnn1-c1ccccc1
InChIInChI=1S/C23H21N5OS/c29-23(24-16-15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)30-17-22-25-26-27-28(22)19-11-5-2-6-12-19/h1-14H,15-17H2,(H,24,29)
InChIKeyBGJPYPJPHDBAEW-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.93
Rot. Bonds8

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

N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (PubChem CID 55406223) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
PubChem CID55406223
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC NameN-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1SCc1nnnn1-c1ccccc1
InChIInChI=1S/C23H21N5OS/c29-23(24-16-15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)30-17-22-25-26-27-28(22)19-11-5-2-6-12-19/h1-14H,15-17H2,(H,24,29)
InChIKeyBGJPYPJPHDBAEW-UHFFFAOYSA-N
XLogP3.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 51217100
N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55556542
N-[(2R)-2-(ethylamino)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 120654010
N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55523727
N-[(1-methylbenzimidazol-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55494907
N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55964665
N-(5-benzyl-1,3-thiazol-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 112795860
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 39913535
N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405761
N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405666
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55678109
(4-methylpiperidin-1-yl)-[2-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenyl]methanone
CID 51217205

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (CID 55406223) is N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is O=C(NCCc1ccccc1)c1ccccc1SCc1nnnn1-c1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is BGJPYPJPHDBAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c29-23(24-16-15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)30-17-22-25-26-27-28(22)19-11-5-2-6-12-19/h1-14H,15-17H2,(H,24,29).
What are the key properties of N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 415.52 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55406223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).