1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone

C15H17ClN4O2S — CID 651176

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone
SMILESCOc1ccc(Cl)cc1C(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C15H17ClN4O2S/c1-22-14-7-6-10(16)8-12(14)13(21)9-23-15-17-18-19-20(15)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3
InChIKeyVDRMROFQRBJXPM-UHFFFAOYSA-N
MW352.85 g/mol
LogP3.43
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone

1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone (PubChem CID 651176) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone
PubChem CID651176
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone
SMILESCOc1ccc(Cl)cc1C(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C15H17ClN4O2S/c1-22-14-7-6-10(16)8-12(14)13(21)9-23-15-17-18-19-20(15)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3
InChIKeyVDRMROFQRBJXPM-UHFFFAOYSA-N
XLogP3.43
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone (CID 651176) is 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone is COc1ccc(Cl)cc1C(=O)CSc1nnnn1C1CCCC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone?
The InChIKey is VDRMROFQRBJXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-22-14-7-6-10(16)8-12(14)13(21)9-23-15-17-18-19-20(15)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone?
1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone has a molecular weight of 352.85 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 651176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).