N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

C14H18ClN5O2S — CID 38132445

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN5O2S/c1-10(2)20-14(17-18-19-20)23-9-13(21)16-7-8-22-12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,16,21)
InChIKeyBKXXLXUNOOQSLZ-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.19
Rot. Bonds8

About N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 38132445) has the molecular formula C14H18ClN5O2S and a molecular weight of 355.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID38132445
Molecular FormulaC14H18ClN5O2S
Molecular Weight355.85 g/mol
Exact Mass355.09
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN5O2S/c1-10(2)20-14(17-18-19-20)23-9-13(21)16-7-8-22-12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,16,21)
InChIKeyBKXXLXUNOOQSLZ-UHFFFAOYSA-N
XLogP2.19
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.19
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-(4-chlorophenoxy)ethyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 34529736
N-[2-(2,6-difluorophenyl)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 87019140
N-[2-(4-chlorophenoxy)ethyl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8631504
N-(5-chloro-2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 17413017
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 27137010
N-(5-chloro-2-methoxyphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 26428388
N-[2-(4-chlorophenoxy)ethyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8883669
N-[2-(4-chlorophenoxy)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 40749903
N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 9343145
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 38573156
N-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 26428369
2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 18227991

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (CID 38132445) is N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is CC(C)n1nnnc1SCC(=O)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is BKXXLXUNOOQSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O2S/c1-10(2)20-14(17-18-19-20)23-9-13(21)16-7-8-22-12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,16,21).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 355.85 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 38132445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).