2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide

C20H25N3O3S — CID 3889301

IUPAC2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
SMILESCCN1CCN(c2ccccc2NC(=O)CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-2-22-12-14-23(15-13-22)19-11-7-6-10-18(19)21-20(24)16-27(25,26)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,21,24)
InChIKeyOKGROWXFDGEDEW-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.24
Rot. Bonds6

About 2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide

2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide (PubChem CID 3889301) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
PubChem CID3889301
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
SMILESCCN1CCN(c2ccccc2NC(=O)CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-2-22-12-14-23(15-13-22)19-11-7-6-10-18(19)21-20(24)16-27(25,26)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,21,24)
InChIKeyOKGROWXFDGEDEW-UHFFFAOYSA-N
XLogP2.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 55361022
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 119954238
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 24664234
4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901069
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride
CID 119901029
N-(2-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444147
2-(benzenesulfonyl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide
CID 3917226
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901051
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 119901048
2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 39737929

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide (CID 3889301) is 2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide is CCN1CCN(c2ccccc2NC(=O)CS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is OKGROWXFDGEDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-2-22-12-14-23(15-13-22)19-11-7-6-10-18(19)21-20(24)16-27(25,26)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,21,24).
What are the key properties of 2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide?
2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 3889301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).