N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide

C22H20ClNOS — CID 100514943

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C22H20ClNOS/c23-20-10-12-21(13-11-20)26-15-14-24-22(25)16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13H,14-16H2,(H,24,25)
InChIKeyRMAYUIYEMUBRNL-UHFFFAOYSA-N
MW381.93 g/mol
LogP5.46
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide

N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 100514943) has the molecular formula C22H20ClNOS and a molecular weight of 381.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide
PubChem CID100514943
Molecular FormulaC22H20ClNOS
Molecular Weight381.93 g/mol
Exact Mass381.10
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C22H20ClNOS/c23-20-10-12-21(13-11-20)26-15-14-24-22(25)16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13H,14-16H2,(H,24,25)
InChIKeyRMAYUIYEMUBRNL-UHFFFAOYSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.93
LogP ≤ 55.46
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

N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-nitrophenyl)acetamide
CID 9258857
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 30396724
2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide
CID 4255523
N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7630379
3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 9258901
N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide
CID 78808707
(E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9259120
N-[3-[2-(4-chlorophenyl)sulfanylethylamino]-3-oxopropyl]furan-2-carboxamide
CID 17407014
N-(2-cyclopentylsulfanylethyl)-2-(4-phenylphenyl)acetamide
CID 100517797
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide
CID 38016538
3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]butanamide
CID 119691377

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide (CID 100514943) is N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCCSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is RMAYUIYEMUBRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNOS/c23-20-10-12-21(13-11-20)26-15-14-24-22(25)16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13H,14-16H2,(H,24,25).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 381.93 g/mol, XLogP of 5.46, 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)sulfanylethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 100514943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).