(4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone

C20H26N2O4S — CID 3312985

IUPAC(4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone
SMILESCCN1CCN(C(=O)c2ccc(CS(=O)(=O)Cc3ccc(C)cc3)o2)CC1
InChIInChI=1S/C20H26N2O4S/c1-3-21-10-12-22(13-11-21)20(23)19-9-8-18(26-19)15-27(24,25)14-17-6-4-16(2)5-7-17/h4-9H,3,10-15H2,1-2H3
InChIKeyPIASZBKQSGFQNH-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.48
Rot. Bonds6

About (4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone

(4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone (PubChem CID 3312985) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone
PubChem CID3312985
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name(4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone
SMILESCCN1CCN(C(=O)c2ccc(CS(=O)(=O)Cc3ccc(C)cc3)o2)CC1
InChIInChI=1S/C20H26N2O4S/c1-3-21-10-12-22(13-11-21)20(23)19-9-8-18(26-19)15-27(24,25)14-17-6-4-16(2)5-7-17/h4-9H,3,10-15H2,1-2H3
InChIKeyPIASZBKQSGFQNH-UHFFFAOYSA-N
XLogP2.48
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]methanone
CID 42750794
[5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 46274516
(5-ethylfuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43427788
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 55623649
2-[4-(5-ethylfuran-2-carbonyl)piperazin-1-yl]acetonitrile
CID 79001404
[5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 20859632
[5-[(3-chlorophenoxy)methyl]furan-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19297059
(4-ethylpiperazin-1-yl)-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methanone
CID 28637058
(5-ethylfuran-2-yl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95350387
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanone
CID 19297067
[5-[[cyclohexyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42750820

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone (CID 3312985) is (4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone is CCN1CCN(C(=O)c2ccc(CS(=O)(=O)Cc3ccc(C)cc3)o2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone?
The InChIKey is PIASZBKQSGFQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-21-10-12-22(13-11-21)20(23)19-9-8-18(26-19)15-27(24,25)14-17-6-4-16(2)5-7-17/h4-9H,3,10-15H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone?
(4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone has a molecular weight of 390.51 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone is sourced from PubChem (CID 3312985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).