3-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide

C19H22ClNOS — CID 5215885

IUPAC3-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)CCSCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNOS/c1-15-2-4-16(5-3-15)10-12-21-19(22)11-13-23-14-17-6-8-18(20)9-7-17/h2-9H,10-14H2,1H3,(H,21,22)
InChIKeyLLQRNQZTUOYDBJ-UHFFFAOYSA-N
MW347.91 g/mol
LogP4.63
Rot. Bonds8

About 3-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide

3-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide (PubChem CID 5215885) has the molecular formula C19H22ClNOS and a molecular weight of 347.91 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide
PubChem CID5215885
Molecular FormulaC19H22ClNOS
Molecular Weight347.91 g/mol
Exact Mass347.11
IUPAC Name3-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)CCSCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNOS/c1-15-2-4-16(5-3-15)10-12-21-19(22)11-13-23-14-17-6-8-18(20)9-7-17/h2-9H,10-14H2,1H3,(H,21,22)
InChIKeyLLQRNQZTUOYDBJ-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide (CID 5215885) is 3-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide is Cc1ccc(CCNC(=O)CCSCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is LLQRNQZTUOYDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNOS/c1-15-2-4-16(5-3-15)10-12-21-19(22)11-13-23-14-17-6-8-18(20)9-7-17/h2-9H,10-14H2,1H3,(H,21,22).
What are the key properties of 3-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide?
3-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 347.91 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 5215885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).