N-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

C14H16ClN5O2S — CID 47037001

IUPACN-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CC1)NCCOc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN5O2S/c15-10-2-1-3-12(8-10)22-7-6-16-13(21)9-23-14-17-18-19-20(14)11-4-5-11/h1-3,8,11H,4-7,9H2,(H,16,21)
InChIKeyOVUIDWIKPSJQLZ-UHFFFAOYSA-N
MW353.84 g/mol
LogP1.95
Rot. Bonds8

About N-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

N-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (PubChem CID 47037001) has the molecular formula C14H16ClN5O2S and a molecular weight of 353.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
PubChem CID47037001
Molecular FormulaC14H16ClN5O2S
Molecular Weight353.84 g/mol
Exact Mass353.07
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CC1)NCCOc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN5O2S/c15-10-2-1-3-12(8-10)22-7-6-16-13(21)9-23-14-17-18-19-20(14)11-4-5-11/h1-3,8,11H,4-7,9H2,(H,16,21)
InChIKeyOVUIDWIKPSJQLZ-UHFFFAOYSA-N
XLogP1.95
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 51.95
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

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 38573156
N-[(2-chlorophenyl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244952
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 43417587
N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 115636705
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 51245020
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 51287399
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 27096193
(3-chlorophenyl) 2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoate
CID 87044222
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,5-dichlorophenyl)ethanone
CID 43231253
N-[2-(4-chlorophenoxy)ethyl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8631504
N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide
CID 52546923
N-[2-(4-chlorophenoxy)ethyl]-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46608751

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (CID 47037001) is N-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1C1CC1)NCCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is OVUIDWIKPSJQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2S/c15-10-2-1-3-12(8-10)22-7-6-16-13(21)9-23-14-17-18-19-20(14)11-4-5-11/h1-3,8,11H,4-7,9H2,(H,16,21).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
N-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 353.84 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 47037001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).