2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide

C21H35N3O3S — CID 162674068

IUPAC2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C21H35N3O3S/c1-7-22(8-2)20(25)17(3)23-13-15-24(16-14-23)28(26,27)19-11-9-18(10-12-19)21(4,5)6/h9-12,17H,7-8,13-16H2,1-6H3
InChIKeyZUGZPNVZYWCHRB-UHFFFAOYSA-N
MW409.60 g/mol
LogP2.55
Rot. Bonds6

About 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide

2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide (PubChem CID 162674068) has the molecular formula C21H35N3O3S and a molecular weight of 409.60 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide
PubChem CID162674068
Molecular FormulaC21H35N3O3S
Molecular Weight409.60 g/mol
Exact Mass409.24
IUPAC Name2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C21H35N3O3S/c1-7-22(8-2)20(25)17(3)23-13-15-24(16-14-23)28(26,27)19-11-9-18(10-12-19)21(4,5)6/h9-12,17H,7-8,13-16H2,1-6H3
InChIKeyZUGZPNVZYWCHRB-UHFFFAOYSA-N
XLogP2.55
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4787641
1,4-Bis[(4-methylphenyl)sulfonyl]tetrahydropyrazine-2,5-dione
CID 285263
4-Methyl-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 751041
Cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3874660
(2S)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 9357145
N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-N-ethyl-acetamide
CID 478418
3,3-Dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 2106955
(3R)-1-hydroxy-4-(4-phenylphenyl)sulfonyl-3-propan-2-ylpiperazine-2,6-dione
CID 56835168
4-(4-Tert-butylphenylsulfonyl)piperazin-2-one
CID 2465157
(E)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 71295891
N,2,4,6-tetramethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 969832

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide?
The IUPAC name of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide (CID 162674068) is 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide?
The InChIKey is ZUGZPNVZYWCHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3S/c1-7-22(8-2)20(25)17(3)23-13-15-24(16-14-23)28(26,27)19-11-9-18(10-12-19)21(4,5)6/h9-12,17H,7-8,13-16H2,1-6H3.
What are the key properties of 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide?
2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide has a molecular weight of 409.60 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N,N-diethylpropanamide is sourced from PubChem (CID 162674068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).