(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone

C16H24N2O4S — CID 110804828

IUPAC(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C16H24N2O4S/c1-3-13-23(20,21)18-11-9-17(10-12-18)16(19)14-5-7-15(8-6-14)22-4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyFYIYDQSGCDVTFE-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.58
Rot. Bonds6

About (4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone

(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 110804828) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID110804828
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C16H24N2O4S/c1-3-13-23(20,21)18-11-9-17(10-12-18)16(19)14-5-7-15(8-6-14)22-4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyFYIYDQSGCDVTFE-UHFFFAOYSA-N
XLogP1.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
(4-chlorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777474
(4-propylphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 47886259
(3-chloro-4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804844
(4-fluorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone;oxalic acid
CID 171154802
(4-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798399
phenyl-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798192
4-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 4820388
(4-benzylsulfonylpiperazin-1-yl)-(4-butoxyphenyl)methanone
CID 9299390
2-(4-methoxyphenoxy)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 1151700
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 172888753

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone (CID 110804828) is (4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone is CCCS(=O)(=O)N1CCN(C(=O)c2ccc(OCC)cc2)CC1.
What is the InChIKey of (4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is FYIYDQSGCDVTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-13-23(20,21)18-11-9-17(10-12-18)16(19)14-5-7-15(8-6-14)22-4-2/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
(4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 340.44 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 110804828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).