N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide

C22H25N3O3S — CID 22762680

IUPACN-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2CCN(Cc3ccc(-c4ccccc4)o3)CC2)cc1
InChIInChI=1S/C22H25N3O3S/c1-29(26,27)23-19-7-9-20(10-8-19)25-15-13-24(14-16-25)17-21-11-12-22(28-21)18-5-3-2-4-6-18/h2-12,23H,13-17H2,1H3
InChIKeyMQPWLLHNXPHESA-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.64
Rot. Bonds6

About N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide

N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide (PubChem CID 22762680) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide
PubChem CID22762680
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2CCN(Cc3ccc(-c4ccccc4)o3)CC2)cc1
InChIInChI=1S/C22H25N3O3S/c1-29(26,27)23-19-7-9-20(10-8-19)25-15-13-24(14-16-25)17-21-11-12-22(28-21)18-5-3-2-4-6-18/h2-12,23H,13-17H2,1H3
InChIKeyMQPWLLHNXPHESA-UHFFFAOYSA-N
XLogP3.64
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[[5-(4-nitrophenyl)furan-2-yl]methyl]-4-phenylpiperazine
CID 1375628
1-[[5-(3,4-dimethylphenyl)furan-2-yl]methyl]-4-phenylpiperazine
CID 22762516
N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methanesulfonamide
CID 15735407
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17274686
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanesulfonamide
CID 3070132
N-[4-[4-[3-(4-oxo-3H-1,2-benzothiazin-2-yl)propyl]piperazin-1-yl]phenyl]methanesulfonamide
CID 90965145
N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
N-[3-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]phenyl]methanesulfonamide;hydrochloride
CID 90656676
(2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 142065834
1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-(2-fluorophenyl)piperazine
CID 1375727
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 46667755

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide (CID 22762680) is N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(N2CCN(Cc3ccc(-c4ccccc4)o3)CC2)cc1.
What is the InChIKey of N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide?
The InChIKey is MQPWLLHNXPHESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-29(26,27)23-19-7-9-20(10-8-19)25-15-13-24(14-16-25)17-21-11-12-22(28-21)18-5-3-2-4-6-18/h2-12,23H,13-17H2,1H3.
What are the key properties of N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide?
N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide has a molecular weight of 411.53 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 22762680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).