N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide

C19H28N4O4S — CID 51965937

IUPACN-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)cc1
InChIInChI=1S/C19H28N4O4S/c1-3-14(2)21-28(26,27)17-6-4-15(5-7-17)18(24)22-11-8-16(9-12-22)23-13-10-20-19(23)25/h4-7,14,16,21H,3,8-13H2,1-2H3,(H,20,25)/t14-/m1/s1
InChIKeyNWRVEAXMUDJJDS-CQSZACIVSA-N
MW408.52 g/mol
LogP1.39
Rot. Bonds6

About N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide

N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 51965937) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID51965937
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC NameN-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)cc1
InChIInChI=1S/C19H28N4O4S/c1-3-14(2)21-28(26,27)17-6-4-15(5-7-17)18(24)22-11-8-16(9-12-22)23-13-10-20-19(23)25/h4-7,14,16,21H,3,8-13H2,1-2H3,(H,20,25)/t14-/m1/s1
InChIKeyNWRVEAXMUDJJDS-CQSZACIVSA-N
XLogP1.39
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide with MolForge

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Related Compounds

N-butan-2-yl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120994656
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
N-[4-(butan-2-ylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223986
N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55915941
6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174414
4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide
CID 55346373
N-[(2S)-butan-2-yl]-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41442273
1-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one
CID 48661370
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
(2S)-1-[4-(butan-2-ylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 45339369
N-butan-2-yl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55456258
4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 9314889

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 51965937) is N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide is CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is NWRVEAXMUDJJDS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-3-14(2)21-28(26,27)17-6-4-15(5-7-17)18(24)22-11-8-16(9-12-22)23-13-10-20-19(23)25/h4-7,14,16,21H,3,8-13H2,1-2H3,(H,20,25)/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide?
N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 408.52 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 51965937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).