1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide

C17H24BrN3O4S — CID 55508170

IUPAC1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C17H24BrN3O4S/c1-12(2)20-16(22)10-19-17(23)13-4-3-9-21(11-13)26(24,25)15-7-5-14(18)6-8-15/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyGXIDIEPISUPPIA-UHFFFAOYSA-N
MW446.37 g/mol
LogP1.49
Rot. Bonds6

About 1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide

1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide (PubChem CID 55508170) has the molecular formula C17H24BrN3O4S and a molecular weight of 446.37 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
PubChem CID55508170
Molecular FormulaC17H24BrN3O4S
Molecular Weight446.37 g/mol
Exact Mass445.07
IUPAC Name1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C17H24BrN3O4S/c1-12(2)20-16(22)10-19-17(23)13-4-3-9-21(11-13)26(24,25)15-7-5-14(18)6-8-15/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyGXIDIEPISUPPIA-UHFFFAOYSA-N
XLogP1.49
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-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

(3R)-1-(4-methoxyphenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
CID 9302223
(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 41302198
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861824
1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 2978458
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 2234236
(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
CID 41302436
1-(4-bromophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874859
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
(3R)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 100800595
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861826
(3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41091084
1-(4-bromophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 24637927

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide (CID 55508170) is 1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide is CC(C)NC(=O)CNC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is GXIDIEPISUPPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O4S/c1-12(2)20-16(22)10-19-17(23)13-4-3-9-21(11-13)26(24,25)15-7-5-14(18)6-8-15/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide?
1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 446.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 55508170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).