(4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

C24H28N2O4S — CID 55605217

IUPAC(4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(OC2CCCC2)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H28N2O4S/c27-24(21-10-12-23(13-11-21)30-22-8-4-5-9-22)25-15-17-26(18-16-25)31(28,29)19-14-20-6-2-1-3-7-20/h1-3,6-7,10-14,19,22H,4-5,8-9,15-18H2/b19-14+
InChIKeyFJUYUERSBVUUOJ-XMHGGMMESA-N
MW440.57 g/mol
LogP3.77
Rot. Bonds6

About (4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

(4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 55605217) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is (4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID55605217
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name(4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(OC2CCCC2)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H28N2O4S/c27-24(21-10-12-23(13-11-21)30-22-8-4-5-9-22)25-15-17-26(18-16-25)31(28,29)19-14-20-6-2-1-3-7-20/h1-3,6-7,10-14,19,22H,4-5,8-9,15-18H2/b19-14+
InChIKeyFJUYUERSBVUUOJ-XMHGGMMESA-N
XLogP3.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-(4-cyclopentyloxyphenyl)methanone
CID 55605182
(3-chlorophenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 8925154
N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55648219
N-cyclohexyl-4-(2-phenylethenylsulfonyl)piperazine-1-carboxamide
CID 75194953
(2,4-dimethoxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 9496766
(2-bromophenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 26870461
N-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
CID 6187731
1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine
CID 171137315
(2-methylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 51154227
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
ethyl 4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carboxylate
CID 737563
1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 9326935

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone (CID 55605217) is (4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone is O=C(c1ccc(OC2CCCC2)cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of (4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is FJUYUERSBVUUOJ-XMHGGMMESA-N. The full InChI is InChI=1S/C24H28N2O4S/c27-24(21-10-12-23(13-11-21)30-22-8-4-5-9-22)25-15-17-26(18-16-25)31(28,29)19-14-20-6-2-1-3-7-20/h1-3,6-7,10-14,19,22H,4-5,8-9,15-18H2/b19-14+.
What are the key properties of (4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
(4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 440.57 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentyloxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 55605217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).