2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide

C20H25ClN2O4S2 — CID 133240493

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H25ClN2O4S2/c1-4-19(28-17-9-5-15(21)6-10-17)20(24)22-13-14-27-16-7-11-18(12-8-16)29(25,26)23(2)3/h5-12,19H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyJGZGLOYAOOUDQQ-UHFFFAOYSA-N
MW457.02 g/mol
LogP3.66
Rot. Bonds10

About 2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide

2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide (PubChem CID 133240493) has the molecular formula C20H25ClN2O4S2 and a molecular weight of 457.02 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
PubChem CID133240493
Molecular FormulaC20H25ClN2O4S2
Molecular Weight457.02 g/mol
Exact Mass456.09
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
SMILESCCC(Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H25ClN2O4S2/c1-4-19(28-17-9-5-15(21)6-10-17)20(24)22-13-14-27-16-7-11-18(12-8-16)29(25,26)23(2)3/h5-12,19H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyJGZGLOYAOOUDQQ-UHFFFAOYSA-N
XLogP3.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.02
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-chlorophenyl)sulfanylbutanamide
CID 133235789
2-(4-chlorophenyl)sulfanyl-N-[2-(3,5-dimethylphenoxy)ethyl]butanamide
CID 133240278
2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240477
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240550
2-(4-chlorophenyl)sulfanyl-N-[2-(2,5-dimethylphenoxy)ethyl]butanamide
CID 133166098
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]butanamide
CID 94019624
2-(4-chlorophenyl)sulfanyl-N-[3-(4-ethoxyphenyl)propyl]butanamide
CID 132659536
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 99999523
2-(4-chlorophenyl)sulfanyl-N-(2-phenylmethoxyethyl)butanamide
CID 133235781
N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide
CID 133240519
N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide
CID 133240484
2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide
CID 133240516

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide (CID 133240493) is 2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide is CCC(Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide?
The InChIKey is JGZGLOYAOOUDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S2/c1-4-19(28-17-9-5-15(21)6-10-17)20(24)22-13-14-27-16-7-11-18(12-8-16)29(25,26)23(2)3/h5-12,19H,4,13-14H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide?
2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide has a molecular weight of 457.02 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide is sourced from PubChem (CID 133240493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).