2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide

C23H32N2O5S — CID 126337667

IUPAC2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H32N2O5S/c1-5-29-22-10-7-6-9-21(22)25(17-23(26)24-15-8-16-30-18(2)3)31(27,28)20-13-11-19(4)12-14-20/h6-7,9-14,18H,5,8,15-17H2,1-4H3,(H,24,26)
InChIKeyDNPVMDKEPYKETP-UHFFFAOYSA-N
MW448.59 g/mol
LogP3.52
Rot. Bonds12

About 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide

2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 126337667) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID126337667
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC Name2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H32N2O5S/c1-5-29-22-10-7-6-9-21(22)25(17-23(26)24-15-8-16-30-18(2)3)31(27,28)20-13-11-19(4)12-14-20/h6-7,9-14,18H,5,8,15-17H2,1-4H3,(H,24,26)
InChIKeyDNPVMDKEPYKETP-UHFFFAOYSA-N
XLogP3.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)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

2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126274254
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126322569
N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139202
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126326800
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30306723
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 126178427
propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50893439
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30214829
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43894310
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1210636
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 30170701
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 51343405

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide (CID 126337667) is 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide is CCOc1ccccc1N(CC(=O)NCCCOC(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is DNPVMDKEPYKETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-5-29-22-10-7-6-9-21(22)25(17-23(26)24-15-8-16-30-18(2)3)31(27,28)20-13-11-19(4)12-14-20/h6-7,9-14,18H,5,8,15-17H2,1-4H3,(H,24,26).
What are the key properties of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 448.59 g/mol, XLogP of 3.52, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 126337667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).