1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide

C25H30N4O5S — CID 55799096

IUPAC1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)CC1
InChIInChI=1S/C25H30N4O5S/c1-2-3-16-35(33,34)28-14-12-18(13-15-28)24(31)26-20-10-8-19(9-11-20)25(32)29-17-23(30)27-21-6-4-5-7-22(21)29/h4-11,18H,2-3,12-17H2,1H3,(H,26,31)(H,27,30)
InChIKeyRQKSRNSDTOUVPK-UHFFFAOYSA-N
MW498.61 g/mol
LogP3.07
Rot. Bonds7

About 1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide

1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide (PubChem CID 55799096) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide
PubChem CID55799096
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)CC1
InChIInChI=1S/C25H30N4O5S/c1-2-3-16-35(33,34)28-14-12-18(13-15-28)24(31)26-20-10-8-19(9-11-20)25(32)29-17-23(30)27-21-6-4-5-7-22(21)29/h4-11,18H,2-3,12-17H2,1H3,(H,26,31)(H,27,30)
InChIKeyRQKSRNSDTOUVPK-UHFFFAOYSA-N
XLogP3.07
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide 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

1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788014
1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55799094
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55799128
4-(methylsulfonylmethyl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751111
N-(3-acetylphenyl)-1-butylsulfonylpiperidine-4-carboxamide
CID 113007849
N-butan-2-yl-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
CID 55350363
4-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16802704
1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 55764759
1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007487
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
2,3-dimethyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55798550
2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751105

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide (CID 55799096) is 1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide?
The InChIKey is RQKSRNSDTOUVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-2-3-16-35(33,34)28-14-12-18(13-15-28)24(31)26-20-10-8-19(9-11-20)25(32)29-17-23(30)27-21-6-4-5-7-22(21)29/h4-11,18H,2-3,12-17H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide?
1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide has a molecular weight of 498.61 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55799096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).