3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide

C14H18ClNO2S — CID 83202445

IUPAC3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide
SMILESO=C(CCSc1ccccc1Cl)NOC1CCCC1
InChIInChI=1S/C14H18ClNO2S/c15-12-7-3-4-8-13(12)19-10-9-14(17)16-18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,17)
InChIKeyDZCIHTQCCPOWOL-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.81
Rot. Bonds6

About 3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide

3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide (PubChem CID 83202445) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide
PubChem CID83202445
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide
SMILESO=C(CCSc1ccccc1Cl)NOC1CCCC1
InChIInChI=1S/C14H18ClNO2S/c15-12-7-3-4-8-13(12)19-10-9-14(17)16-18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,17)
InChIKeyDZCIHTQCCPOWOL-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide (CID 83202445) is 3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide is O=C(CCSc1ccccc1Cl)NOC1CCCC1.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide?
The InChIKey is DZCIHTQCCPOWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c15-12-7-3-4-8-13(12)19-10-9-14(17)16-18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,16,17).
What are the key properties of 3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide?
3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide has a molecular weight of 299.82 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-N-cyclopentyloxypropanamide is sourced from PubChem (CID 83202445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).