(4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone

C17H26N2O3S — CID 110804708

IUPAC(4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cc(C(C)C)ccc2C)CC1
InChIInChI=1S/C17H26N2O3S/c1-5-23(21,22)19-10-8-18(9-11-19)17(20)16-12-15(13(2)3)7-6-14(16)4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeySEDYOEQLZRGDKS-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.23
Rot. Bonds4

About (4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone

(4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone (PubChem CID 110804708) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone
PubChem CID110804708
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cc(C(C)C)ccc2C)CC1
InChIInChI=1S/C17H26N2O3S/c1-5-23(21,22)19-10-8-18(9-11-19)17(20)16-12-15(13(2)3)7-6-14(16)4/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeySEDYOEQLZRGDKS-UHFFFAOYSA-N
XLogP2.23
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethylsulfonylpiperazin-1-yl)-(2,4,5-trimethylphenyl)methanone
CID 110804694
4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812678
1-ethylsulfonyl-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 110819026
N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813643
(2,5-dimethylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122985
5-[4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110816230
4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805042
4-(5-chloro-2-methylbenzoyl)piperazine-1-sulfonamide
CID 115532362
(5-amino-2-methylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61292135
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 43011160
3-methyl-1-[4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817774
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone?
The IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone (CID 110804708) is (4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for (4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone?
The canonical SMILES for (4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone is CCS(=O)(=O)N1CCN(C(=O)c2cc(C(C)C)ccc2C)CC1.
What is the InChIKey of (4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone?
The InChIKey is SEDYOEQLZRGDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-5-23(21,22)19-10-8-18(9-11-19)17(20)16-12-15(13(2)3)7-6-14(16)4/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of (4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone?
(4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone has a molecular weight of 338.47 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 110804708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).