N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

C24H34N4O3S2 — CID 33139402

IUPACN-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H34N4O3S2/c29-23(20-22-10-11-24(32-22)33(30,31)28-14-5-2-6-15-28)25-12-7-13-26-16-18-27(19-17-26)21-8-3-1-4-9-21/h1,3-4,8-11H,2,5-7,12-20H2,(H,25,29)
InChIKeyQMGRRQUPKOKVKZ-UHFFFAOYSA-N
MW490.70 g/mol
LogP2.79
Rot. Bonds9

About N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 33139402) has the molecular formula C24H34N4O3S2 and a molecular weight of 490.70 g/mol. Its IUPAC name is N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID33139402
Molecular FormulaC24H34N4O3S2
Molecular Weight490.70 g/mol
Exact Mass490.21
IUPAC NameN-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H34N4O3S2/c29-23(20-22-10-11-24(32-22)33(30,31)28-14-5-2-6-15-28)25-12-7-13-26-16-18-27(19-17-26)21-8-3-1-4-9-21/h1,3-4,8-11H,2,5-7,12-20H2,(H,25,29)
InChIKeyQMGRRQUPKOKVKZ-UHFFFAOYSA-N
XLogP2.79
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.70
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide 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

5-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]pentanoic acid
CID 119234105
N-(3-phenoxypropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55431438
N-(3-aminopropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119407534
N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51155075
N-hexyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51156188
methyl 7-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]heptanoate
CID 46420163
N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119497975
N-[2-(4-aminophenyl)ethyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119548449
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 8713130
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
1-(5-ethylthiophen-2-yl)sulfonyl-4-phenyl-1,4-diazepane
CID 87027489

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 33139402) is N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is QMGRRQUPKOKVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3S2/c29-23(20-22-10-11-24(32-22)33(30,31)28-14-5-2-6-15-28)25-12-7-13-26-16-18-27(19-17-26)21-8-3-1-4-9-21/h1,3-4,8-11H,2,5-7,12-20H2,(H,25,29).
What are the key properties of N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 490.70 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylpiperazin-1-yl)propyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 33139402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).