tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate

C24H33N5O6S — CID 146251935

IUPACtert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(-n2cc(CCC=O)nc(N3CCN(C(=O)OC(C)(C)C)CC3)c2=O)cc1
InChIInChI=1S/C24H33N5O6S/c1-24(2,3)35-23(32)28-14-12-27(13-15-28)21-22(31)29(17-18(25-21)7-6-16-30)19-8-10-20(11-9-19)36(33,34)26(4)5/h8-11,16-17H,6-7,12-15H2,1-5H3
InChIKeyGIOUSCWIAXFNMR-UHFFFAOYSA-N
MW519.62 g/mol
LogP1.67
Rot. Bonds7

About tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate (PubChem CID 146251935) has the molecular formula C24H33N5O6S and a molecular weight of 519.62 g/mol. Its IUPAC name is tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate
PubChem CID146251935
Molecular FormulaC24H33N5O6S
Molecular Weight519.62 g/mol
Exact Mass519.22
IUPAC Nametert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(-n2cc(CCC=O)nc(N3CCN(C(=O)OC(C)(C)C)CC3)c2=O)cc1
InChIInChI=1S/C24H33N5O6S/c1-24(2,3)35-23(32)28-14-12-27(13-15-28)21-22(31)29(17-18(25-21)7-6-16-30)19-8-10-20(11-9-19)36(33,34)26(4)5/h8-11,16-17H,6-7,12-15H2,1-5H3
InChIKeyGIOUSCWIAXFNMR-UHFFFAOYSA-N
XLogP1.67
TPSA122.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.62
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate 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-[4-(4-Fluorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal
CID 146242973
Tert-butyl 4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate
CID 146251842
tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-6-[3-[[(1R,2S)-2-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]-prop-2-enylamino]propyl]-3-oxopyrazin-2-yl]piperazine-1-carboxylate
CID 146251962
Ethyl 3-[4-[4-(dimethylsulfamoyl)phenyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate
CID 146242951
4-[4-[4-(Dimethylsulfamoyl)phenyl]-6-(3-ethoxy-3-oxopropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146242963
4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 146242989
(E)-3-[4-[4-(dimethylsulfamoyl)phenyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoic acid
CID 146242999
N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide
CID 146243050
4-[4-[4-(Dimethylsulfamoyl)phenyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243076
4-[4-[4-(Dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243085
4-[4-[4-(dimethylsulfamoyl)phenyl]-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243087
Tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-6-(3-ethoxy-3-oxopropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylate
CID 146251815

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate (CID 146251935) is tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate is CN(C)S(=O)(=O)c1ccc(-n2cc(CCC=O)nc(N3CCN(C(=O)OC(C)(C)C)CC3)c2=O)cc1.
What is the InChIKey of tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate?
The InChIKey is GIOUSCWIAXFNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O6S/c1-24(2,3)35-23(32)28-14-12-27(13-15-28)21-22(31)29(17-18(25-21)7-6-16-30)19-8-10-20(11-9-19)36(33,34)26(4)5/h8-11,16-17H,6-7,12-15H2,1-5H3.
What are the key properties of tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate has a molecular weight of 519.62 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[4-(dimethylsulfamoyl)phenyl]-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 146251935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).