4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C24H32N4O4S — CID 18580949

IUPAC4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)CN(C(=O)N2CCN(CC)CC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H32N4O4S/c1-4-20-8-10-21(11-9-20)25-23(29)18-28(24(30)27-16-14-26(5-2)15-17-27)33(31,32)22-12-6-19(3)7-13-22/h6-13H,4-5,14-18H2,1-3H3,(H,25,29)
InChIKeyUBOCXYSBMHWICJ-UHFFFAOYSA-N
MW472.61 g/mol
LogP2.94
Rot. Bonds7

About 4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 18580949) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is 4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID18580949
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)CN(C(=O)N2CCN(CC)CC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H32N4O4S/c1-4-20-8-10-21(11-9-20)25-23(29)18-28(24(30)27-16-14-26(5-2)15-17-27)33(31,32)22-12-6-19(3)7-13-22/h6-13H,4-5,14-18H2,1-3H3,(H,25,29)
InChIKeyUBOCXYSBMHWICJ-UHFFFAOYSA-N
XLogP2.94
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide 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 4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 18580949) is 4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is CCc1ccc(NC(=O)CN(C(=O)N2CCN(CC)CC2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is UBOCXYSBMHWICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-4-20-8-10-21(11-9-20)25-23(29)18-28(24(30)27-16-14-26(5-2)15-17-27)33(31,32)22-12-6-19(3)7-13-22/h6-13H,4-5,14-18H2,1-3H3,(H,25,29).
What are the key properties of 4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 18580949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).