N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

C22H28N4O4S — CID 31288599

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C22H28N4O4S/c1-3-17-7-4-5-10-20(17)24-21(27)16-23-22(28)18-8-6-9-19(15-18)31(29,30)26-13-11-25(2)12-14-26/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyUKMGSTAOYXVUEA-UHFFFAOYSA-N
MW444.56 g/mol
LogP1.55
Rot. Bonds7

About N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 31288599) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID31288599
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C22H28N4O4S/c1-3-17-7-4-5-10-20(17)24-21(27)16-23-22(28)18-8-6-9-19(15-18)31(29,30)26-13-11-25(2)12-14-26/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyUKMGSTAOYXVUEA-UHFFFAOYSA-N
XLogP1.55
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide 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

3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26905232
N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55612909
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
[2-(2-ethylanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 7981318
N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55359411
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9301531
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 43024824
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
CID 8839491
N-[2-(2-ethylanilino)-2-oxoethyl]naphthalene-2-carboxamide
CID 8699030
N-(3-chloro-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 31507527
ethyl 3-methyl-4-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate
CID 99969143
N-(3-acetylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 30795599

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 31288599) is N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is CCc1ccccc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is UKMGSTAOYXVUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-3-17-7-4-5-10-20(17)24-21(27)16-23-22(28)18-8-6-9-19(15-18)31(29,30)26-13-11-25(2)12-14-26/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 444.56 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 31288599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).