2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide

C22H27N5O3S — CID 24664234

IUPAC2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
SMILESCCN1CCN(c2ccccc2NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H27N5O3S/c1-3-26-12-14-27(15-13-26)21-7-5-4-6-20(21)24-22(28)17-25(2)31(29,30)19-10-8-18(16-23)9-11-19/h4-11H,3,12-15,17H2,1-2H3,(H,24,28)
InChIKeyHBFIHUFHQWZUCT-UHFFFAOYSA-N
MW441.56 g/mol
LogP1.96
Rot. Bonds7

About 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide (PubChem CID 24664234) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
PubChem CID24664234
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
SMILESCCN1CCN(c2ccccc2NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H27N5O3S/c1-3-26-12-14-27(15-13-26)21-7-5-4-6-20(21)24-22(28)17-25(2)31(29,30)19-10-8-18(16-23)9-11-19/h4-11H,3,12-15,17H2,1-2H3,(H,24,28)
InChIKeyHBFIHUFHQWZUCT-UHFFFAOYSA-N
XLogP1.96
TPSA96.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide 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

N-[2-(4-bromopyrazol-1-yl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55699584
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide
CID 52662594
N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide
CID 24665455
2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3889301
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2112970
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925263
3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 55361022
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901069
N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 24664354

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide (CID 24664234) is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide is CCN1CCN(c2ccccc2NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is HBFIHUFHQWZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-3-26-12-14-27(15-13-26)21-7-5-4-6-20(21)24-22(28)17-25(2)31(29,30)19-10-8-18(16-23)9-11-19/h4-11H,3,12-15,17H2,1-2H3,(H,24,28).
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide?
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 441.56 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 24664234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).