propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate

C20H25NO4S — CID 50891408

IUPACpropan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCc1ccc(S(=O)(=O)N(CC(=O)OC(C)C)c2cccc(C)c2C)cc1
InChIInChI=1S/C20H25NO4S/c1-14(2)25-20(22)13-21(19-8-6-7-16(4)17(19)5)26(23,24)18-11-9-15(3)10-12-18/h6-12,14H,13H2,1-5H3
InChIKeyVKSMKELVKQIERA-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.76
Rot. Bonds6

About propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate

propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate (PubChem CID 50891408) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate
PubChem CID50891408
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Namepropan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate
SMILESCc1ccc(S(=O)(=O)N(CC(=O)OC(C)C)c2cccc(C)c2C)cc1
InChIInChI=1S/C20H25NO4S/c1-14(2)25-20(22)13-21(19-8-6-7-16(4)17(19)5)26(23,24)18-11-9-15(3)10-12-18/h6-12,14H,13H2,1-5H3
InChIKeyVKSMKELVKQIERA-UHFFFAOYSA-N
XLogP3.76
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-(2,3-dimethyl-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-methylphenyl)sulfonylanilino)acetate
CID 50893439
propan-2-yl 2-(N-(4-bromophenyl)sulfonyl-2-methylanilino)acetate
CID 50889568
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N,N-dimethylacetamide
CID 126031297
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 53280413
propan-2-yl 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50890197
propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate
CID 50889833
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100736706
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92672852
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126118965
ethyl 2-(2,3-dimethyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517214
propan-2-yl 2-[N-(benzenesulfonyl)-2-fluoroanilino]acetate
CID 50890112
ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50895722

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate?
The IUPAC name of propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate (CID 50891408) is propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate.
What is the SMILES notation for propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate?
The canonical SMILES for propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate is Cc1ccc(S(=O)(=O)N(CC(=O)OC(C)C)c2cccc(C)c2C)cc1.
What is the InChIKey of propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate?
The InChIKey is VKSMKELVKQIERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-14(2)25-20(22)13-21(19-8-6-7-16(4)17(19)5)26(23,24)18-11-9-15(3)10-12-18/h6-12,14H,13H2,1-5H3.
What are the key properties of propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate?
propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate has a molecular weight of 375.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetate is sourced from PubChem (CID 50891408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).