2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone

C22H28ClN3O3S2 — CID 53067977

IUPAC2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)CC1
InChIInChI=1S/C22H28ClN3O3S2/c1-17-5-6-18(23)15-20(17)24-11-13-26(14-12-24)31(28,29)22-8-7-19(30-22)16-21(27)25-9-3-2-4-10-25/h5-8,15H,2-4,9-14,16H2,1H3
InChIKeyGCUJXYGROCTLMA-UHFFFAOYSA-N
MW482.07 g/mol
LogP3.78
Rot. Bonds5

About 2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone

2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone (PubChem CID 53067977) has the molecular formula C22H28ClN3O3S2 and a molecular weight of 482.07 g/mol. Its IUPAC name is 2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone
PubChem CID53067977
Molecular FormulaC22H28ClN3O3S2
Molecular Weight482.07 g/mol
Exact Mass481.13
IUPAC Name2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)CC1
InChIInChI=1S/C22H28ClN3O3S2/c1-17-5-6-18(23)15-20(17)24-11-13-26(14-12-24)31(28,29)22-8-7-19(30-22)16-21(27)25-9-3-2-4-10-25/h5-8,15H,2-4,9-14,16H2,1H3
InChIKeyGCUJXYGROCTLMA-UHFFFAOYSA-N
XLogP3.78
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.07
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

2-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-pyrrolidin-1-ylethanone
CID 53067924
2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-chloro-5-piperidin-1-ylsulfonylphenyl)methanone
CID 26877578
1-(4-aminopiperidin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119375493
N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide
CID 53067981
[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53336733
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 119545474
1-(4-benzylpiperazin-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 34347338
5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 60759039
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 55369200
1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 19682893
4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid
CID 119239114

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone (CID 53067977) is 2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone is Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)CC1.
What is the InChIKey of 2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is GCUJXYGROCTLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3S2/c1-17-5-6-18(23)15-20(17)24-11-13-26(14-12-24)31(28,29)22-8-7-19(30-22)16-21(27)25-9-3-2-4-10-25/h5-8,15H,2-4,9-14,16H2,1H3.
What are the key properties of 2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone?
2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 482.07 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 53067977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).