N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide

C24H37N3O4S — CID 55915941

IUPACN-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1
InChIInChI=1S/C24H37N3O4S/c1-3-19(2)25-32(30,31)22-12-10-21(11-13-22)24(29)27-17-15-26(16-18-27)23(28)14-9-20-7-5-4-6-8-20/h10-13,19-20,25H,3-9,14-18H2,1-2H3
InChIKeyRJFRHBYGDXRDCL-UHFFFAOYSA-N
MW463.64 g/mol
LogP3.41
Rot. Bonds8

About N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide

N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 55915941) has the molecular formula C24H37N3O4S and a molecular weight of 463.64 g/mol. Its IUPAC name is N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID55915941
Molecular FormulaC24H37N3O4S
Molecular Weight463.64 g/mol
Exact Mass463.25
IUPAC NameN-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1
InChIInChI=1S/C24H37N3O4S/c1-3-19(2)25-32(30,31)22-12-10-21(11-13-22)24(29)27-17-15-26(16-18-27)23(28)14-9-20-7-5-4-6-8-20/h10-13,19-20,25H,3-9,14-18H2,1-2H3
InChIKeyRJFRHBYGDXRDCL-UHFFFAOYSA-N
XLogP3.41
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.64
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide with MolForge

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Related Compounds

N-[4-[[(2S)-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
CID 55955686
N-[(2S)-butan-2-yl]-4-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 41442273
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119285166
4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 9314889
3-cyclohexyl-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544297
4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide
CID 55346373
1-[4-(4-propan-2-ylsulfonylbenzoyl)piperazin-1-yl]butan-1-one
CID 110800070
N-[(2R)-butan-2-yl]-4-[4-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 51965937
N-butan-2-yl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120994656
(2S)-1-[4-(butan-2-ylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 45339369
3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 108569551
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide (CID 55915941) is N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1.
What is the InChIKey of N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is RJFRHBYGDXRDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4S/c1-3-19(2)25-32(30,31)22-12-10-21(11-13-22)24(29)27-17-15-26(16-18-27)23(28)14-9-20-7-5-4-6-8-20/h10-13,19-20,25H,3-9,14-18H2,1-2H3.
What are the key properties of N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide?
N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 463.64 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55915941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).