(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide

C20H24ClNOS2 — CID 30378708

IUPAC(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(C)c1
InChIInChI=1S/C20H24ClNOS2/c1-3-19(25-18-9-7-17(21)8-10-18)20(23)22-11-12-24-14-16-6-4-5-15(2)13-16/h4-10,13,19H,3,11-12,14H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyBSSDTUSSZPSXJQ-LJQANCHMSA-N
MW394.01 g/mol
LogP5.57
Rot. Bonds9

About (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide

(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide (PubChem CID 30378708) has the molecular formula C20H24ClNOS2 and a molecular weight of 394.01 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
PubChem CID30378708
Molecular FormulaC20H24ClNOS2
Molecular Weight394.01 g/mol
Exact Mass393.10
IUPAC Name(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(C)c1
InChIInChI=1S/C20H24ClNOS2/c1-3-19(25-18-9-7-17(21)8-10-18)20(23)22-11-12-24-14-16-6-4-5-15(2)13-16/h4-10,13,19H,3,11-12,14H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyBSSDTUSSZPSXJQ-LJQANCHMSA-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'}

Analyze (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 92673749
N-(2-benzylsulfanylethyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 43905507
(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
1-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-propylurea
CID 100748357
2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
CID 133166098
2-(4-chloro-3-methylphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 132659532
4-chloro-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]aniline
CID 63516800
2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide
CID 133235781
2-(4-chlorophenyl)sulfanyl-N-[2-(3,5-dimethylphenoxy)ethyl]butanamide
CID 133240278
(2S)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100546648
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100546639

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide (CID 30378708) is (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide is CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(C)c1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide?
The InChIKey is BSSDTUSSZPSXJQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24ClNOS2/c1-3-19(25-18-9-7-17(21)8-10-18)20(23)22-11-12-24-14-16-6-4-5-15(2)13-16/h4-10,13,19H,3,11-12,14H2,1-2H3,(H,22,23)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide?
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-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 (2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide is sourced from PubChem (CID 30378708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).