(2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide

C19H21Cl2NOS2 — CID 92673749

IUPAC(2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(Cl)c1
InChIInChI=1S/C19H21Cl2NOS2/c1-2-18(25-17-8-6-15(20)7-9-17)19(23)22-10-11-24-13-14-4-3-5-16(21)12-14/h3-9,12,18H,2,10-11,13H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeySFCWHGLDRMUAFR-GOSISDBHSA-N
MW414.42 g/mol
LogP5.91
Rot. Bonds9

About (2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide

(2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide (PubChem CID 92673749) has the molecular formula C19H21Cl2NOS2 and a molecular weight of 414.42 g/mol. Its IUPAC name is (2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide
PubChem CID92673749
Molecular FormulaC19H21Cl2NOS2
Molecular Weight414.42 g/mol
Exact Mass413.04
IUPAC Name(2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide
SMILESCC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(Cl)c1
InChIInChI=1S/C19H21Cl2NOS2/c1-2-18(25-17-8-6-15(20)7-9-17)19(23)22-10-11-24-13-14-4-3-5-16(21)12-14/h3-9,12,18H,2,10-11,13H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeySFCWHGLDRMUAFR-GOSISDBHSA-N
XLogP5.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.42
LogP ≤ 55.91
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

(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 30378708
N-(2-benzylsulfanylethyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 43905507
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 28635758
(2S)-N-(3-chlorophenyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 92674766
(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92646274
2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide
CID 133235781
(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
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-naphthalen-2-yloxybutanamide
CID 46764606
(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2,3-dimethylphenoxy)butanamide
CID 38003536
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 100635104
2-(3-chlorophenyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 100650916

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide?
The IUPAC name of (2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide (CID 92673749) is (2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide.
What is the SMILES notation for (2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide?
The canonical SMILES for (2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide is CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(Cl)c1.
What is the InChIKey of (2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide?
The InChIKey is SFCWHGLDRMUAFR-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21Cl2NOS2/c1-2-18(25-17-8-6-15(20)7-9-17)19(23)22-10-11-24-13-14-4-3-5-16(21)12-14/h3-9,12,18H,2,10-11,13H2,1H3,(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide?
(2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide has a molecular weight of 414.42 g/mol, XLogP of 5.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylbutanamide is sourced from PubChem (CID 92673749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).