ethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate

C23H29N3O6S — CID 2913074

IUPACethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H29N3O6S/c1-4-32-23(28)25-15-13-24(14-16-25)22(27)17-26(20-7-5-6-8-21(20)31-3)33(29,30)19-11-9-18(2)10-12-19/h5-12H,4,13-17H2,1-3H3
InChIKeyBMKDJTFINDGSFY-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.50
Rot. Bonds7

About ethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate (PubChem CID 2913074) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is ethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate
PubChem CID2913074
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Nameethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H29N3O6S/c1-4-32-23(28)25-15-13-24(14-16-25)22(27)17-26(20-7-5-6-8-21(20)31-3)33(29,30)19-11-9-18(2)10-12-19/h5-12H,4,13-17H2,1-3H3
InChIKeyBMKDJTFINDGSFY-UHFFFAOYSA-N
XLogP2.50
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate (CID 2913074) is ethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate?
The InChIKey is BMKDJTFINDGSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-4-32-23(28)25-15-13-24(14-16-25)22(27)17-26(20-7-5-6-8-21(20)31-3)33(29,30)19-11-9-18(2)10-12-19/h5-12H,4,13-17H2,1-3H3.
What are the key properties of ethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate has a molecular weight of 475.57 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 2913074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).