4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide

C23H27F2N3O5S — CID 46476766

IUPAC4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide
SMILESCC(NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C23H27F2N3O5S/c1-17(18-6-5-7-19(16-18)33-23(24)25)26-21(29)10-11-22(30)27-12-14-28(15-13-27)34(31,32)20-8-3-2-4-9-20/h2-9,16-17,23H,10-15H2,1H3,(H,26,29)
InChIKeyHYZDSZSKDYWPKZ-UHFFFAOYSA-N
MW495.55 g/mol
LogP2.78
Rot. Bonds9

About 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide

4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide (PubChem CID 46476766) has the molecular formula C23H27F2N3O5S and a molecular weight of 495.55 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide
PubChem CID46476766
Molecular FormulaC23H27F2N3O5S
Molecular Weight495.55 g/mol
Exact Mass495.16
IUPAC Name4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide
SMILESCC(NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C23H27F2N3O5S/c1-17(18-6-5-7-19(16-18)33-23(24)25)26-21(29)10-11-22(30)27-12-14-28(15-13-27)34(31,32)20-8-3-2-4-9-20/h2-9,16-17,23H,10-15H2,1H3,(H,26,29)
InChIKeyHYZDSZSKDYWPKZ-UHFFFAOYSA-N
XLogP2.78
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide 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

4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 41170115
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-4-oxobutanamide
CID 97332694
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-4-oxobutanamide
CID 97332697
4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 38258813
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-oxobutanamide
CID 55948679
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-4-oxobutanamide
CID 55508158
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 51729577
5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 82013441
4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide
CID 9181207
3-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949773
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)-4-oxobutanamide
CID 26577423
4-morpholin-4-yl-4-oxo-N-[(1S)-1-phenylethyl]butanamide
CID 40719548

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide?
The IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide (CID 46476766) is 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide?
The canonical SMILES for 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide is CC(NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(OC(F)F)c1.
What is the InChIKey of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide?
The InChIKey is HYZDSZSKDYWPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O5S/c1-17(18-6-5-7-19(16-18)33-23(24)25)26-21(29)10-11-22(30)27-12-14-28(15-13-27)34(31,32)20-8-3-2-4-9-20/h2-9,16-17,23H,10-15H2,1H3,(H,26,29).
What are the key properties of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide?
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide has a molecular weight of 495.55 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-oxobutanamide is sourced from PubChem (CID 46476766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).