(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide

C20H24ClNOS2 — CID 28635758

IUPAC(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(C)cc1
InChIInChI=1S/C20H24ClNOS2/c1-3-19(25-18-10-8-17(21)9-11-18)20(23)22-12-13-24-14-16-6-4-15(2)5-7-16/h4-11,19H,3,12-14H2,1-2H3,(H,22,23)/t19-/m0/s1
InChIKeyKYVSYQXFLQODJL-IBGZPJMESA-N
MW394.01 g/mol
LogP5.57
Rot. Bonds9

About (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide

(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide (PubChem CID 28635758) has the molecular formula C20H24ClNOS2 and a molecular weight of 394.01 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
PubChem CID28635758
Molecular FormulaC20H24ClNOS2
Molecular Weight394.01 g/mol
Exact Mass393.10
IUPAC Name(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
SMILESCC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(C)cc1
InChIInChI=1S/C20H24ClNOS2/c1-3-19(25-18-10-8-17(21)9-11-18)20(23)22-12-13-24-14-16-6-4-15(2)5-7-16/h4-11,19H,3,12-14H2,1-2H3,(H,22,23)/t19-/m0/s1
InChIKeyKYVSYQXFLQODJL-IBGZPJMESA-N
XLogP5.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.01
LogP ≤ 55.57
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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Related Compounds

N-(2-benzylsulfanylethyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 43905507
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 30378708
(2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 92673749
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)acetamide
CID 38016538
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2284206
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-methylbenzamide
CID 7582460
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]butanamide
CID 28631748
3-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 100588605
2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
CID 133166098
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]butanamide
CID 30394251
2-(4-chlorophenyl)sulfanyl-N-[2-(3,5-dimethylphenoxy)ethyl]butanamide
CID 133240278
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 126413449

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide (CID 28635758) is (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide is CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(C)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide?
The InChIKey is KYVSYQXFLQODJL-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24ClNOS2/c1-3-19(25-18-10-8-17(21)9-11-18)20(23)22-12-13-24-14-16-6-4-15(2)5-7-16/h4-11,19H,3,12-14H2,1-2H3,(H,22,23)/t19-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide?
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide has a molecular weight of 394.01 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide is sourced from PubChem (CID 28635758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).