2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide

C21H26Cl2N2O4S — CID 133229314

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide
SMILESCCCc1ccc(OCCNC(=O)C(C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C21H26Cl2N2O4S/c1-4-5-16-6-9-18(10-7-16)29-13-12-24-21(26)15(2)25(30(3,27)28)20-14-17(22)8-11-19(20)23/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,26)
InChIKeySOUPZXFRMRNMKT-UHFFFAOYSA-N
MW473.42 g/mol
LogP4.30
Rot. Bonds10

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide (PubChem CID 133229314) has the molecular formula C21H26Cl2N2O4S and a molecular weight of 473.42 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide
PubChem CID133229314
Molecular FormulaC21H26Cl2N2O4S
Molecular Weight473.42 g/mol
Exact Mass472.10
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide
SMILESCCCc1ccc(OCCNC(=O)C(C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C21H26Cl2N2O4S/c1-4-5-16-6-9-18(10-7-16)29-13-12-24-21(26)15(2)25(30(3,27)28)20-14-17(22)8-11-19(20)23/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,26)
InChIKeySOUPZXFRMRNMKT-UHFFFAOYSA-N
XLogP4.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide 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)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 8991605
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 133229385
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(2,3-dimethylphenoxy)ethyl]propanamide
CID 133165900
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide
CID 94026989
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 53281217
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 132671749
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-pentan-2-yl]propanamide
CID 8991613
(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 124561170
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92675165
(2R)-N-[2-(4-chlorophenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125057542
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561154
N-[(2-chlorophenyl)methyl]-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 53281295

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide (CID 133229314) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide is CCCc1ccc(OCCNC(=O)C(C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide?
The InChIKey is SOUPZXFRMRNMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O4S/c1-4-5-16-6-9-18(10-7-16)29-13-12-24-21(26)15(2)25(30(3,27)28)20-14-17(22)8-11-19(20)23/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,26).
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide has a molecular weight of 473.42 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(4-propylphenoxy)ethyl]propanamide is sourced from PubChem (CID 133229314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).