2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

C20H23N5O3S — CID 27137010

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)CSc2nnnn2Cc2ccccc2)cc1
InChIInChI=1S/C20H23N5O3S/c1-2-27-17-8-10-18(11-9-17)28-13-12-21-19(26)15-29-20-22-23-24-25(20)14-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,26)
InChIKeyPMMZLWFQQPFRPW-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.41
Rot. Bonds11

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (PubChem CID 27137010) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
PubChem CID27137010
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)CSc2nnnn2Cc2ccccc2)cc1
InChIInChI=1S/C20H23N5O3S/c1-2-27-17-8-10-18(11-9-17)28-13-12-21-19(26)15-29-20-22-23-24-25(20)14-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,26)
InChIKeyPMMZLWFQQPFRPW-UHFFFAOYSA-N
XLogP2.41
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 27136248
2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
CID 51258381
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 24519850
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
N-benzyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 864271
N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 38132445
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 27135865
N-[2-(4-chlorophenoxy)ethyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 34529736
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 27135863
N-[(4-fluorophenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetamide
CID 27091861
N-[2-(4-ethoxyphenoxy)ethyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8848725

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (CID 27137010) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is CCOc1ccc(OCCNC(=O)CSc2nnnn2Cc2ccccc2)cc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The InChIKey is PMMZLWFQQPFRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-2-27-17-8-10-18(11-9-17)28-13-12-21-19(26)15-29-20-22-23-24-25(20)14-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,26).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 2.41, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 27137010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).