propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate

C20H25NO5S — CID 50893439

IUPACpropan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCCOc1ccccc1N(CC(=O)OC(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H25NO5S/c1-5-25-19-9-7-6-8-18(19)21(14-20(22)26-15(2)3)27(23,24)17-12-10-16(4)11-13-17/h6-13,15H,5,14H2,1-4H3
InChIKeyAPQSMDQHEABFLP-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.54
Rot. Bonds8

About propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate

propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate (PubChem CID 50893439) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate
PubChem CID50893439
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Namepropan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCCOc1ccccc1N(CC(=O)OC(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H25NO5S/c1-5-25-19-9-7-6-8-18(19)21(14-20(22)26-15(2)3)27(23,24)17-12-10-16(4)11-13-17/h6-13,15H,5,14H2,1-4H3
InChIKeyAPQSMDQHEABFLP-UHFFFAOYSA-N
XLogP3.54
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate 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

propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50893485
N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139202
propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50891408
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30306723
N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
CID 35767256
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-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126337667
N-(2,6-dimethylphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1095191
propan-2-yl 2-(N-(4-bromophenyl)sulfonyl-2-methylanilino)acetate
CID 50889568
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92681102
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methylphenyl)acetamide
CID 1364387

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate?
The IUPAC name of propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate (CID 50893439) is propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate.
What is the SMILES notation for propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate?
The canonical SMILES for propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate is CCOc1ccccc1N(CC(=O)OC(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate?
The InChIKey is APQSMDQHEABFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-5-25-19-9-7-6-8-18(19)21(14-20(22)26-15(2)3)27(23,24)17-12-10-16(4)11-13-17/h6-13,15H,5,14H2,1-4H3.
What are the key properties of propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate?
propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate has a molecular weight of 391.49 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetate is sourced from PubChem (CID 50893439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).