N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide

C17H16ClN5O2S — CID 46572642

IUPACN-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClN5O2S/c1-12(24)19-14-3-2-4-15(11-14)23-17(20-21-22-23)26-10-9-25-16-7-5-13(18)6-8-16/h2-8,11H,9-10H2,1H3,(H,19,24)
InChIKeyWZIPYRRIEZVJAC-UHFFFAOYSA-N
MW389.87 g/mol
LogP3.45
Rot. Bonds7

About N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide

N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide (PubChem CID 46572642) has the molecular formula C17H16ClN5O2S and a molecular weight of 389.87 g/mol. Its IUPAC name is N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
PubChem CID46572642
Molecular FormulaC17H16ClN5O2S
Molecular Weight389.87 g/mol
Exact Mass389.07
IUPAC NameN-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2nnnc2SCCOc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClN5O2S/c1-12(24)19-14-3-2-4-15(11-14)23-17(20-21-22-23)26-10-9-25-16-7-5-13(18)6-8-16/h2-8,11H,9-10H2,1H3,(H,19,24)
InChIKeyWZIPYRRIEZVJAC-UHFFFAOYSA-N
XLogP3.45
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.87
LogP ≤ 53.45
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-[3-[5-(2-phenoxyethylsulfanyl)tetrazol-1-yl]phenyl]acetamide
CID 46572679
N-[3-[5-[2-(2-bromo-4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 46572571
N-[3-[5-(3-methylbutylsulfanyl)tetrazol-1-yl]phenyl]acetamide
CID 38842731
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 46572572
N-(3-chlorophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1328619
N-(4-acetamidophenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1405245
4-[5-[3-(4-chlorophenoxy)propylsulfanyl]tetrazol-1-yl]phenol
CID 7629751
N-(3-chlorophenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16648706
N-[3-[5-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyltetrazol-1-yl]phenyl]acetamide
CID 55571400
3-[5-[2-(benzenesulfonyl)ethylsulfanyl]tetrazol-1-yl]-N-prop-1-en-2-ylaniline
CID 18344480
N-[3-[5-[1-(6-methoxynaphthalen-2-yl)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 71870068
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylethanol
CID 17437726

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide (CID 46572642) is N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2nnnc2SCCOc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
The InChIKey is WZIPYRRIEZVJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2S/c1-12(24)19-14-3-2-4-15(11-14)23-17(20-21-22-23)26-10-9-25-16-7-5-13(18)6-8-16/h2-8,11H,9-10H2,1H3,(H,19,24).
What are the key properties of N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide?
N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide has a molecular weight of 389.87 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[2-(4-chlorophenoxy)ethylsulfanyl]tetrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 46572642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).