[4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C24H23N5O5S — CID 166076100

IUPAC[4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)n3cnc(-c4ccco4)n3)cc2)CC1
InChIInChI=1S/C24H23N5O5S/c1-33-21-6-3-2-5-20(21)27-12-14-28(15-13-27)24(30)18-8-10-19(11-9-18)35(31,32)29-17-25-23(26-29)22-7-4-16-34-22/h2-11,16-17H,12-15H2,1H3
InChIKeyONAXKEJJEQAAGU-UHFFFAOYSA-N
MW493.55 g/mol
LogP2.75
Rot. Bonds6

About [4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 166076100) has the molecular formula C24H23N5O5S and a molecular weight of 493.55 g/mol. Its IUPAC name is [4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID166076100
Molecular FormulaC24H23N5O5S
Molecular Weight493.55 g/mol
Exact Mass493.14
IUPAC Name[4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)n3cnc(-c4ccco4)n3)cc2)CC1
InChIInChI=1S/C24H23N5O5S/c1-33-21-6-3-2-5-20(21)27-12-14-28(15-13-27)24(30)18-8-10-19(11-9-18)35(31,32)29-17-25-23(26-29)22-7-4-16-34-22/h2-11,16-17H,12-15H2,1H3
InChIKeyONAXKEJJEQAAGU-UHFFFAOYSA-N
XLogP2.75
TPSA110.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[4-[(3-cyclopentyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 166076111
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43920571
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methanone
CID 110839312
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 26534443
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9415328
2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110690646
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2207423
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[2-[bis(4-methoxyphenyl)methyl]-4-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 18950554
N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 71467536

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 166076100) is [4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)n3cnc(-c4ccco4)n3)cc2)CC1.
What is the InChIKey of [4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is ONAXKEJJEQAAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5S/c1-33-21-6-3-2-5-20(21)27-12-14-28(15-13-27)24(30)18-8-10-19(11-9-18)35(31,32)29-17-25-23(26-29)22-7-4-16-34-22/h2-11,16-17H,12-15H2,1H3.
What are the key properties of [4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 493.55 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(furan-2-yl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 166076100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).