1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone

C19H24ClN3O3S2 — CID 55470701

IUPAC1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
SMILESCC(c1cccs1)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClN3O3S2/c1-15(18-4-3-13-27-18)21(2)14-19(24)22-9-11-23(12-10-22)28(25,26)17-7-5-16(20)6-8-17/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyDIOORRKWGSKGIW-UHFFFAOYSA-N
MW442.01 g/mol
LogP2.93
Rot. Bonds6

About 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone (PubChem CID 55470701) has the molecular formula C19H24ClN3O3S2 and a molecular weight of 442.01 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
PubChem CID55470701
Molecular FormulaC19H24ClN3O3S2
Molecular Weight442.01 g/mol
Exact Mass441.09
IUPAC Name1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone
SMILESCC(c1cccs1)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClN3O3S2/c1-15(18-4-3-13-27-18)21(2)14-19(24)22-9-11-23(12-10-22)28(25,26)17-7-5-16(20)6-8-17/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyDIOORRKWGSKGIW-UHFFFAOYSA-N
XLogP2.93
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.01
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone with MolForge

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Related Compounds

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(1-thiophen-2-ylethylamino)ethanone
CID 112769582
2-[1-(2,4-dichlorophenyl)ethyl-methylamino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55569273
(3S)-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-5-oxopentanoic acid
CID 27521360
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 26202318
2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265370
N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 55452056
N-methyl-4-piperidin-1-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 24552647
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112799963
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 4805567
N-[bis(4-chlorophenyl)methyl]-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-4-oxobutanamide
CID 166348073
4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 41170115
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 8922837

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone (CID 55470701) is 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone is CC(c1cccs1)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone?
The InChIKey is DIOORRKWGSKGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S2/c1-15(18-4-3-13-27-18)21(2)14-19(24)22-9-11-23(12-10-22)28(25,26)17-7-5-16(20)6-8-17/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone?
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone has a molecular weight of 442.01 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone is sourced from PubChem (CID 55470701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).