(5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C17H20N2O3S2 — CID 1246755

IUPAC(5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCc1scc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1-c1ccccc1
InChIInChI=1S/C17H20N2O3S2/c1-13-16(14-6-4-3-5-7-14)15(12-23-13)17(20)18-8-10-19(11-9-18)24(2,21)22/h3-7,12H,8-11H2,1-2H3
InChIKeyGLJWSOYFYHHFAV-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.44
Rot. Bonds3

About (5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 1246755) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID1246755
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name(5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCc1scc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1-c1ccccc1
InChIInChI=1S/C17H20N2O3S2/c1-13-16(14-6-4-3-5-7-14)15(12-23-13)17(20)18-8-10-19(11-9-18)24(2,21)22/h3-7,12H,8-11H2,1-2H3
InChIKeyGLJWSOYFYHHFAV-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6466553
1-[(5,5-dioxido-4H-thieno[3,2-c]thiochromen-2-yl)carbonyl]pyrrolidine
CID 6623577
[4-(2,4-Dimethylbenzenesulfonyl)piperazin-1-yl](thiophen-2-yl)methanone
CID 1262775
[4-(Phenylsulfonyl)piperazin-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2225531
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[4-(2-thienyl)phenyl]ethane-1,2-dione
CID 44191363
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[4-(3-thienyl)phenyl]ethane-1,2-dione
CID 44191532

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 1246755) is (5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is Cc1scc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1-c1ccccc1.
What is the InChIKey of (5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is GLJWSOYFYHHFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-13-16(14-6-4-3-5-7-14)15(12-23-13)17(20)18-8-10-19(11-9-18)24(2,21)22/h3-7,12H,8-11H2,1-2H3.
What are the key properties of (5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 364.49 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-phenylthiophen-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 1246755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).