4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide

C24H38N4O4S — CID 55572982

IUPAC4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide
SMILESCN(CCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C24H38N4O4S/c1-26(21-9-4-2-5-10-21)16-8-15-25-23(29)13-14-24(30)27-17-19-28(20-18-27)33(31,32)22-11-6-3-7-12-22/h3,6-7,11-12,21H,2,4-5,8-10,13-20H2,1H3,(H,25,29)
InChIKeyNPPRTWJXEHIDEA-UHFFFAOYSA-N
MW478.66 g/mol
LogP2.07
Rot. Bonds10

About 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide

4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide (PubChem CID 55572982) has the molecular formula C24H38N4O4S and a molecular weight of 478.66 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide
PubChem CID55572982
Molecular FormulaC24H38N4O4S
Molecular Weight478.66 g/mol
Exact Mass478.26
IUPAC Name4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide
SMILESCN(CCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C24H38N4O4S/c1-26(21-9-4-2-5-10-21)16-8-15-25-23(29)13-14-24(30)27-17-19-28(20-18-27)33(31,32)22-11-6-3-7-12-22/h3,6-7,11-12,21H,2,4-5,8-10,13-20H2,1H3,(H,25,29)
InChIKeyNPPRTWJXEHIDEA-UHFFFAOYSA-N
XLogP2.07
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.66
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopentyloxypropyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 139000371
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-(butan-2-ylamino)-3-oxopropyl]-4-oxobutanamide
CID 55948679
1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119678284
1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(3,5-dimethylpiperidin-1-yl)butane-1,4-dione
CID 42910150
4-(benzenesulfonyl)-N-[3-[benzyl(methyl)amino]propyl]piperazine-1-carboxamide
CID 52570185
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 50767930
N-[4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxobutyl]prop-2-enamide
CID 154870943
N-(2-aminoethyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide;hydrochloride
CID 119383883
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 26500148
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55573535
7-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]heptan-1-one
CID 119678275
N-[3-[cyclohexyl(methyl)amino]propyl]-2-[(1S)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
CID 93076182

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide?
The IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide (CID 55572982) is 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide.
What is the SMILES notation for 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide?
The canonical SMILES for 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide is CN(CCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide?
The InChIKey is NPPRTWJXEHIDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O4S/c1-26(21-9-4-2-5-10-21)16-8-15-25-23(29)13-14-24(30)27-17-19-28(20-18-27)33(31,32)22-11-6-3-7-12-22/h3,6-7,11-12,21H,2,4-5,8-10,13-20H2,1H3,(H,25,29).
What are the key properties of 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide?
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide has a molecular weight of 478.66 g/mol, XLogP of 2.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-[cyclohexyl(methyl)amino]propyl]-4-oxobutanamide is sourced from PubChem (CID 55572982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).