2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide

C21H18ClNOS2 — CID 4153660

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C21H18ClNOS2/c22-17-12-10-16(11-13-17)14-25-15-21(24)23-19-8-4-5-9-20(19)26-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,23,24)
InChIKeyZPHLHZZOOCLVNB-UHFFFAOYSA-N
MW399.97 g/mol
LogP6.36
Rot. Bonds7

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

2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 4153660) has the molecular formula C21H18ClNOS2 and a molecular weight of 399.97 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID4153660
Molecular FormulaC21H18ClNOS2
Molecular Weight399.97 g/mol
Exact Mass399.05
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C21H18ClNOS2/c22-17-12-10-16(11-13-17)14-25-15-21(24)23-19-8-4-5-9-20(19)26-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,23,24)
InChIKeyZPHLHZZOOCLVNB-UHFFFAOYSA-N
XLogP6.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.97
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 1278117
N-(2-acetylphenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 8580172
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 875754
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide
CID 34219891
3-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid
CID 43357960
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 1265415
4-amino-N-(2-phenylsulfanylphenyl)butanamide
CID 61253617
2-[[5-(4-chlorophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 23857291

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide (CID 4153660) is 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide is O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is ZPHLHZZOOCLVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNOS2/c22-17-12-10-16(11-13-17)14-25-15-21(24)23-19-8-4-5-9-20(19)26-18-6-2-1-3-7-18/h1-13H,14-15H2,(H,23,24).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 399.97 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 4153660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).