2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide

C20H25ClN2O5S — CID 133240477

IUPAC2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H25ClN2O5S/c1-4-19(28-17-7-5-6-15(21)14-17)20(24)22-12-13-27-16-8-10-18(11-9-16)29(25,26)23(2)3/h5-11,14,19H,4,12-13H2,1-3H3,(H,22,24)
InChIKeyDKUQAMPJCKFPMV-UHFFFAOYSA-N
MW440.95 g/mol
LogP2.94
Rot. Bonds10

About 2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide

2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide (PubChem CID 133240477) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
PubChem CID133240477
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC Name2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H25ClN2O5S/c1-4-19(28-17-7-5-6-15(21)14-17)20(24)22-12-13-27-16-8-10-18(11-9-16)29(25,26)23(2)3/h5-11,14,19H,4,12-13H2,1-3H3,(H,22,24)
InChIKeyDKUQAMPJCKFPMV-UHFFFAOYSA-N
XLogP2.94
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 52.94
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-(dimethylsulfamoyl)phenoxy]ethyl]-2-(3-methylphenoxy)butanamide
CID 133240484
2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide
CID 133239975
N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]-2-(2-methoxyphenoxy)butanamide
CID 133240519
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240550
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(4-chlorophenyl)sulfanyl-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide
CID 133240493
2-(3-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 17106640
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
2-(3,4-dimethylphenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]propanamide
CID 133240516
2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 133239971
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635445
(2R)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635444

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide (CID 133240477) is 2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide?
The InChIKey is DKUQAMPJCKFPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-4-19(28-17-7-5-6-15(21)14-17)20(24)22-12-13-27-16-8-10-18(11-9-16)29(25,26)23(2)3/h5-11,14,19H,4,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide?
2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide has a molecular weight of 440.95 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]butanamide is sourced from PubChem (CID 133240477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).