1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone

C26H33N3O4S — CID 55682426

IUPAC1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone
SMILESCCc1ccc(CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C2CC2)cc1
InChIInChI=1S/C26H33N3O4S/c1-3-21-4-6-22(7-5-21)18-28(24-10-11-24)19-26(31)27-14-16-29(17-15-27)34(32,33)25-12-8-23(9-13-25)20(2)30/h4-9,12-13,24H,3,10-11,14-19H2,1-2H3
InChIKeyLAROPBCJJUUNHR-UHFFFAOYSA-N
MW483.63 g/mol
LogP2.95
Rot. Bonds9

About 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone

1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone (PubChem CID 55682426) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone
PubChem CID55682426
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone
SMILESCCc1ccc(CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C2CC2)cc1
InChIInChI=1S/C26H33N3O4S/c1-3-21-4-6-22(7-5-21)18-28(24-10-11-24)19-26(31)27-14-16-29(17-15-27)34(32,33)25-12-8-23(9-13-25)20(2)30/h4-9,12-13,24H,3,10-11,14-19H2,1-2H3
InChIKeyLAROPBCJJUUNHR-UHFFFAOYSA-N
XLogP2.95
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone with MolForge

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Related Compounds

2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 55682223
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethanone
CID 21174323
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 7899574
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone
CID 108569952
3-(diethylamino)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110422421
3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 108569551
(4-ethylphenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26181741
1-[4-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 18111865
1-[4-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 8623677
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-aminobutan-1-one;hydrochloride
CID 119685697
4-(4-acetylphenyl)sulfonyl-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]piperazine-1-carbothioamide
CID 18558133
4-(4-acetylphenyl)sulfonyl-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazine-1-carbothioamide
CID 11923133

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone?
The IUPAC name of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone (CID 55682426) is 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone.
What is the SMILES notation for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone?
The canonical SMILES for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone is CCc1ccc(CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C2CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone?
The InChIKey is LAROPBCJJUUNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-3-21-4-6-22(7-5-21)18-28(24-10-11-24)19-26(31)27-14-16-29(17-15-27)34(32,33)25-12-8-23(9-13-25)20(2)30/h4-9,12-13,24H,3,10-11,14-19H2,1-2H3.
What are the key properties of 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone?
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone has a molecular weight of 483.63 g/mol, XLogP of 2.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]ethanone is sourced from PubChem (CID 55682426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).