N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide

C22H22N4O5S — CID 20873908

IUPACN-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide
SMILESCN(c1ccnc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22N4O5S/c1-24(32(29,30)18-6-3-2-4-7-18)17-9-10-23-19(16-17)21(27)25-11-13-26(14-12-25)22(28)20-8-5-15-31-20/h2-10,15-16H,11-14H2,1H3
InChIKeyJHBOPMDYSCKMHW-UHFFFAOYSA-N
MW454.51 g/mol
LogP2.10
Rot. Bonds5

About N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide

N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide (PubChem CID 20873908) has the molecular formula C22H22N4O5S and a molecular weight of 454.51 g/mol. Its IUPAC name is N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide
PubChem CID20873908
Molecular FormulaC22H22N4O5S
Molecular Weight454.51 g/mol
Exact Mass454.13
IUPAC NameN-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide
SMILESCN(c1ccnc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22N4O5S/c1-24(32(29,30)18-6-3-2-4-7-18)17-9-10-23-19(16-17)21(27)25-11-13-26(14-12-25)22(28)20-8-5-15-31-20/h2-10,15-16H,11-14H2,1H3
InChIKeyJHBOPMDYSCKMHW-UHFFFAOYSA-N
XLogP2.10
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[4-[benzenesulfonyl(methyl)amino]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 46258122
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 34472481
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707
furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 109203676
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)-4-pyridinyl]methanone
CID 109083000
furan-2-yl-[4-[4-(2-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]methanone
CID 109216178
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109088728
[4-[4-(2-ethylpiperidin-1-yl)pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109216173
[2-(diethylamino)pyrimidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109310510
[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208139
[4-[benzyl(methyl)amino]-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109211032

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide (CID 20873908) is N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide is CN(c1ccnc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide?
The InChIKey is JHBOPMDYSCKMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S/c1-24(32(29,30)18-6-3-2-4-7-18)17-9-10-23-19(16-17)21(27)25-11-13-26(14-12-25)22(28)20-8-5-15-31-20/h2-10,15-16H,11-14H2,1H3.
What are the key properties of N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide?
N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide has a molecular weight of 454.51 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-pyridinyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 20873908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).