N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide

C25H26Cl2N2O4S — CID 30228380

IUPACN-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H26Cl2N2O4S/c1-2-33-22-13-11-21(12-14-22)29(34(31,32)23-15-9-20(26)10-16-23)18-25(30)28-17-5-7-19-6-3-4-8-24(19)27/h3-4,6,8-16H,2,5,7,17-18H2,1H3,(H,28,30)
InChIKeyQTGZMAXACDWQNR-UHFFFAOYSA-N
MW521.47 g/mol
LogP5.34
Rot. Bonds11

About N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide

N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide (PubChem CID 30228380) has the molecular formula C25H26Cl2N2O4S and a molecular weight of 521.47 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
PubChem CID30228380
Molecular FormulaC25H26Cl2N2O4S
Molecular Weight521.47 g/mol
Exact Mass520.10
IUPAC NameN-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H26Cl2N2O4S/c1-2-33-22-13-11-21(12-14-22)29(34(31,32)23-15-9-20(26)10-16-23)18-25(30)28-17-5-7-19-6-3-4-8-24(19)27/h3-4,6,8-16H,2,5,7,17-18H2,1H3,(H,28,30)
InChIKeyQTGZMAXACDWQNR-UHFFFAOYSA-N
XLogP5.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide 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

N-[3-(2-chlorophenyl)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220391
N-[3-(2-chlorophenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30226854
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 43897207
N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43896767
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide
CID 51343423
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(2-chlorophenyl)propyl]acetamide
CID 30200017
2-[(2-chlorophenyl)methyl-[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]-N-propylpropanamide
CID 132695973
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126416394
2-[(2-chlorophenyl)methyl-[2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]-N-ethylbutanamide
CID 132695971
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
CID 21372135
N-[(4-chlorophenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 1311358
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30228923

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide (CID 30228380) is N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide is CCOc1ccc(N(CC(=O)NCCCc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide?
The InChIKey is QTGZMAXACDWQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O4S/c1-2-33-22-13-11-21(12-14-22)29(34(31,32)23-15-9-20(26)10-16-23)18-25(30)28-17-5-7-19-6-3-4-8-24(19)27/h3-4,6,8-16H,2,5,7,17-18H2,1H3,(H,28,30).
What are the key properties of N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide?
N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide has a molecular weight of 521.47 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)acetamide is sourced from PubChem (CID 30228380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).