3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide

C15H16ClNOS2 — CID 5057434

IUPAC3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCSCc1cccc(Cl)c1)NCc1cccs1
InChIInChI=1S/C15H16ClNOS2/c16-13-4-1-3-12(9-13)11-19-8-6-15(18)17-10-14-5-2-7-20-14/h1-5,7,9H,6,8,10-11H2,(H,17,18)
InChIKeyOSFKDRKFZPIEEH-UHFFFAOYSA-N
MW325.89 g/mol
LogP4.34
Rot. Bonds7

About 3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide

3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 5057434) has the molecular formula C15H16ClNOS2 and a molecular weight of 325.89 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID5057434
Molecular FormulaC15H16ClNOS2
Molecular Weight325.89 g/mol
Exact Mass325.04
IUPAC Name3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCSCc1cccc(Cl)c1)NCc1cccs1
InChIInChI=1S/C15H16ClNOS2/c16-13-4-1-3-12(9-13)11-19-8-6-15(18)17-10-14-5-2-7-20-14/h1-5,7,9H,6,8,10-11H2,(H,17,18)
InChIKeyOSFKDRKFZPIEEH-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.89
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide (CID 5057434) is 3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide is O=C(CCSCc1cccc(Cl)c1)NCc1cccs1.
What is the InChIKey of 3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is OSFKDRKFZPIEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS2/c16-13-4-1-3-12(9-13)11-19-8-6-15(18)17-10-14-5-2-7-20-14/h1-5,7,9H,6,8,10-11H2,(H,17,18).
What are the key properties of 3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide?
3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 325.89 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 5057434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).