1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one

C23H30N2O4S — CID 55338572

IUPAC1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C23H30N2O4S/c26-23(13-10-21-7-4-18-29-21)24-14-16-25(17-15-24)30(27,28)22-11-8-20(9-12-22)19-5-2-1-3-6-19/h4,7-9,11-12,18-19H,1-3,5-6,10,13-17H2
InChIKeyNBXMFBWYADMSMR-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.79
Rot. Bonds6

About 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one

1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 55338572) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
PubChem CID55338572
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccco1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C23H30N2O4S/c26-23(13-10-21-7-4-18-29-21)24-14-16-25(17-15-24)30(27,28)22-11-8-20(9-12-22)19-5-2-1-3-6-19/h4,7-9,11-12,18-19H,1-3,5-6,10,13-17H2
InChIKeyNBXMFBWYADMSMR-UHFFFAOYSA-N
XLogP3.79
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269998
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 17459924
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
CID 119687160
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 24517548
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one
CID 55719707
1,4-bis[(4-cyclohexylphenyl)sulfonyl]-1,4-diazepane
CID 3720140
ethyl 4-(4-cyclohexylphenyl)sulfonylpiperazine-1-carboxylate
CID 1262754
4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 138024921
1-(4-cyclohexylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 60568104
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]propan-1-one
CID 55566908
1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 55566906

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The IUPAC name of 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one (CID 55338572) is 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one is O=C(CCc1ccco1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one?
The InChIKey is NBXMFBWYADMSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c26-23(13-10-21-7-4-18-29-21)24-14-16-25(17-15-24)30(27,28)22-11-8-20(9-12-22)19-5-2-1-3-6-19/h4,7-9,11-12,18-19H,1-3,5-6,10,13-17H2.
What are the key properties of 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one?
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 430.57 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 55338572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).