N-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide

C19H32N4O3S — CID 10318597

IUPACN-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)C(C)C)CC2)c1
InChIInChI=1S/C19H32N4O3S/c1-16(2)27(25,26)20-9-4-5-10-22-11-13-23(14-12-22)19-8-6-7-18(15-19)21-17(3)24/h6-8,15-16,20H,4-5,9-14H2,1-3H3,(H,21,24)
InChIKeyCPBIWHVJLGAGPZ-UHFFFAOYSA-N
MW396.56 g/mol
LogP1.88
Rot. Bonds9

About N-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide

N-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 10318597) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide
PubChem CID10318597
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC NameN-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)C(C)C)CC2)c1
InChIInChI=1S/C19H32N4O3S/c1-16(2)27(25,26)20-9-4-5-10-22-11-13-23(14-12-22)19-8-6-7-18(15-19)21-17(3)24/h6-8,15-16,20H,4-5,9-14H2,1-3H3,(H,21,24)
InChIKeyCPBIWHVJLGAGPZ-UHFFFAOYSA-N
XLogP1.88
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Naluzotan
CID 11430856
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038
2,2-dimethyl-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}propanamide
CID 2236672
2,2-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide
CID 824048
N-(3-{4-[4-(2-methyl-propane-1-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10047196
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-propionamide
CID 10072874
N-[3-(4-{4-[methyl-(2-methyl-propane-1-sulfonyl)-amino]-butyl}-piperazin-1-yl)-phenyl]-acetamide
CID 10093856
N-(3-{4-[4-(4-fluoro-benzenesulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10253106
N-(3-(4-(4-(cyclohexylsulfonylamino)butyl)piperazin-1-yl)-phenyl)acetamide
CID 10343002
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10343434
N-{3-[4-(1-Cyclohexylmethanesulfonyl-piperidin-4-ylmethyl)-piperizine-1-yl]-phenyl}-acetamide
CID 10457710
Cyclopropanecarboxylic acid {3-[4-(4-cyclohexylmethanesulfonylamino-butyl)-piperazin-1-yl]-phenyl}-amide
CID 11511267

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide (CID 10318597) is N-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)C(C)C)CC2)c1.
What is the InChIKey of N-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is CPBIWHVJLGAGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-16(2)27(25,26)20-9-4-5-10-22-11-13-23(14-12-22)19-8-6-7-18(15-19)21-17(3)24/h6-8,15-16,20H,4-5,9-14H2,1-3H3,(H,21,24).
What are the key properties of N-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide?
N-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 396.56 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(propan-2-ylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 10318597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).