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

C18H20ClNOS — CID 38016538

IUPACN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNOS/c1-14-2-4-15(5-3-14)12-18(21)20-10-11-22-13-16-6-8-17(19)9-7-16/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyZDAMZIFTPWWFTP-UHFFFAOYSA-N
MW333.88 g/mol
LogP4.24
Rot. Bonds7

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

N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 38016538) has the molecular formula C18H20ClNOS and a molecular weight of 333.88 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide
PubChem CID38016538
Molecular FormulaC18H20ClNOS
Molecular Weight333.88 g/mol
Exact Mass333.10
IUPAC NameN-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClNOS/c1-14-2-4-15(5-3-14)12-18(21)20-10-11-22-13-16-6-8-17(19)9-7-16/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyZDAMZIFTPWWFTP-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.88
LogP ≤ 54.24
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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Related Compounds

3-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 100588605
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-methylbenzamide
CID 7582460
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2284206
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(4-methylphenoxy)butanamide
CID 21367179
2-(2-chloro-6-fluorophenyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 32964688
3-[(4-chlorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 4064424
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-iodo-4-methylbenzamide
CID 100523818
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 92680272
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 28635758
2-(3-chlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 100650916
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide
CID 100554672

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide (CID 38016538) is N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is ZDAMZIFTPWWFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNOS/c1-14-2-4-15(5-3-14)12-18(21)20-10-11-22-13-16-6-8-17(19)9-7-16/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide?
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 333.88 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 38016538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).