2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide

C26H28Cl2N2O4S — CID 43893372

IUPAC2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
SMILESCCCOc1ccccc1CCCNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H28Cl2N2O4S/c1-2-17-34-25-13-7-6-9-20(25)10-8-16-29-26(31)19-30(24-15-14-21(27)18-23(24)28)35(32,33)22-11-4-3-5-12-22/h3-7,9,11-15,18H,2,8,10,16-17,19H2,1H3,(H,29,31)
InChIKeyDEEZAEHEGDDFBT-UHFFFAOYSA-N
MW535.49 g/mol
LogP5.73
Rot. Bonds12

About 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide (PubChem CID 43893372) has the molecular formula C26H28Cl2N2O4S and a molecular weight of 535.49 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
PubChem CID43893372
Molecular FormulaC26H28Cl2N2O4S
Molecular Weight535.49 g/mol
Exact Mass534.11
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
SMILESCCCOc1ccccc1CCCNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H28Cl2N2O4S/c1-2-17-34-25-13-7-6-9-20(25)10-8-16-29-26(31)19-30(24-15-14-21(27)18-23(24)28)35(32,33)22-11-4-3-5-12-22/h3-7,9,11-15,18H,2,8,10,16-17,19H2,1H3,(H,29,31)
InChIKeyDEEZAEHEGDDFBT-UHFFFAOYSA-N
XLogP5.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.49
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30200922
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30203079
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30175236
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30209855
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30246310
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30209868
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30209863
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide
CID 126415552
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide
CID 126270307
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide
CID 126120768
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30220604
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30205214

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide (CID 43893372) is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide is CCCOc1ccccc1CCCNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
The InChIKey is DEEZAEHEGDDFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N2O4S/c1-2-17-34-25-13-7-6-9-20(25)10-8-16-29-26(31)19-30(24-15-14-21(27)18-23(24)28)35(32,33)22-11-4-3-5-12-22/h3-7,9,11-15,18H,2,8,10,16-17,19H2,1H3,(H,29,31).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide has a molecular weight of 535.49 g/mol, XLogP of 5.73, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(2-propoxyphenyl)propyl]acetamide is sourced from PubChem (CID 43893372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).