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

C18H19N5O2S — CID 51217100

IUPACN-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESCOCCNC(=O)c1ccccc1SCc1nnnn1-c1ccccc1
InChIInChI=1S/C18H19N5O2S/c1-25-12-11-19-18(24)15-9-5-6-10-16(15)26-13-17-20-21-22-23(17)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,24)
InChIKeyKPUZSBKBRVFIKD-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.33
Rot. Bonds8

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

N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (PubChem CID 51217100) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
PubChem CID51217100
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESCOCCNC(=O)c1ccccc1SCc1nnnn1-c1ccccc1
InChIInChI=1S/C18H19N5O2S/c1-25-12-11-19-18(24)15-9-5-6-10-16(15)26-13-17-20-21-22-23(17)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,24)
InChIKeyKPUZSBKBRVFIKD-UHFFFAOYSA-N
XLogP2.33
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55406223
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-[(1-methylbenzimidazol-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55494907
N-[4-(carbamoylamino)phenyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55523727
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405690
N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55964665
(2S)-N-(2-methoxyethyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274391
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 39913535
N-(2-fluoro-5-methylphenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405666
(4-methylpiperidin-1-yl)-[2-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenyl]methanone
CID 51217205
N-(3-cyanophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55405761

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (CID 51217100) is N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is COCCNC(=O)c1ccccc1SCc1nnnn1-c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is KPUZSBKBRVFIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-25-12-11-19-18(24)15-9-5-6-10-16(15)26-13-17-20-21-22-23(17)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,24).
What are the key properties of N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 369.45 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 51217100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).