[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone

C17H20N2O3S2 — CID 1262775

IUPAC[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)c1
InChIInChI=1S/C17H20N2O3S2/c1-13-5-6-16(14(2)12-13)24(21,22)19-9-7-18(8-10-19)17(20)15-4-3-11-23-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyQVPZSFBWVOIFCD-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.51
Rot. Bonds3

About [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone

[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 1262775) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID1262775
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)c1
InChIInChI=1S/C17H20N2O3S2/c1-13-5-6-16(14(2)12-13)24(21,22)19-9-7-18(8-10-19)17(20)15-4-3-11-23-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyQVPZSFBWVOIFCD-UHFFFAOYSA-N
XLogP2.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-Dimethylphenyl)sulfonyl]-4-(thien-2-ylcarbonyl)piperazine
CID 1262770
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 16305983
4-[(4-Fluorophenyl)sulfonyl]piperazinyl 2-thienyl ketone
CID 1094979
[4-(Phenylsulfonyl)piperazin-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2225531
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
4-[5-[[benzylsulfonyl(2-methylpropyl)amino]methyl]thiophen-2-yl]-N,N-dimethylbenzamide
CID 89665061
Phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2524719
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
4-Diethylsulfamoyl-thiophene-2-carboxylic acid benzylamide
CID 647357
[4-(Benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 717233

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone (CID 1262775) is [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)c1.
What is the InChIKey of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is QVPZSFBWVOIFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-13-5-6-16(14(2)12-13)24(21,22)19-9-7-18(8-10-19)17(20)15-4-3-11-23-15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 364.49 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 1262775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).