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

C26H27N5O2S — CID 55556542

IUPACN-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESCC(OCCCNC(=O)c1ccccc1SCc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N5O2S/c1-20(21-11-4-2-5-12-21)33-18-10-17-27-26(32)23-15-8-9-16-24(23)34-19-25-28-29-30-31(25)22-13-6-3-7-14-22/h2-9,11-16,20H,10,17-19H2,1H3,(H,27,32)
InChIKeyQOLJCLXLJJGNOE-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.85
Rot. Bonds11

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

N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (PubChem CID 55556542) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
PubChem CID55556542
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC NameN-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
SMILESCC(OCCCNC(=O)c1ccccc1SCc1nnnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N5O2S/c1-20(21-11-4-2-5-12-21)33-18-10-17-27-26(32)23-15-8-9-16-24(23)34-19-25-28-29-30-31(25)22-13-6-3-7-14-22/h2-9,11-16,20H,10,17-19H2,1H3,(H,27,32)
InChIKeyQOLJCLXLJJGNOE-UHFFFAOYSA-N
XLogP4.85
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.85
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-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 51217100
N-(2-phenylethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55406223
N-[(2R)-2-(ethylamino)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 120654010
N-[3-(1-phenylethoxy)propyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46550057
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
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide
CID 24678149
4-oxo-3-phenyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
CID 24583740
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55535580
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
N-(1-benzothiophen-3-ylmethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55964665

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide (CID 55556542) is N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is CC(OCCCNC(=O)c1ccccc1SCc1nnnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is QOLJCLXLJJGNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-20(21-11-4-2-5-12-21)33-18-10-17-27-26(32)23-15-8-9-16-24(23)34-19-25-28-29-30-31(25)22-13-6-3-7-14-22/h2-9,11-16,20H,10,17-19H2,1H3,(H,27,32).
What are the key properties of N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide?
N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 473.60 g/mol, XLogP of 4.85, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55556542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).