N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide

C25H33N3O4S — CID 46689755

IUPACN-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CC(C)NC(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C25H33N3O4S/c1-17-15-18(2)21(5)24(20(17)4)33(31,32)28-13-11-27(12-14-28)23(29)16-19(3)26-25(30)22-9-7-6-8-10-22/h6-10,15,19H,11-14,16H2,1-5H3,(H,26,30)
InChIKeyLTGFWHDKBGGMIK-UHFFFAOYSA-N
MW471.62 g/mol
LogP2.96
Rot. Bonds6

About N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide

N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide (PubChem CID 46689755) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide
PubChem CID46689755
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC NameN-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CC(C)NC(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C25H33N3O4S/c1-17-15-18(2)21(5)24(20(17)4)33(31,32)28-13-11-27(12-14-28)23(29)16-19(3)26-25(30)22-9-7-6-8-10-22/h6-10,15,19H,11-14,16H2,1-5H3,(H,26,30)
InChIKeyLTGFWHDKBGGMIK-UHFFFAOYSA-N
XLogP2.96
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 24679878
N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide
CID 38073776
4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 86981010
N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide
CID 78804572
N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 35677124
N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide
CID 47027675
2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265641
(3R)-3-phenyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 7921552
N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide
CID 124875313
N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46519790
N-[4-[4-[2-(cyclopropylamino)-2-oxoacetyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 55735695
N-[4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 51271176

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide?
The IUPAC name of N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide (CID 46689755) is N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide.
What is the SMILES notation for N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide?
The canonical SMILES for N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CC(C)NC(=O)c3ccccc3)CC2)c1C.
What is the InChIKey of N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide?
The InChIKey is LTGFWHDKBGGMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-17-15-18(2)21(5)24(20(17)4)33(31,32)28-13-11-27(12-14-28)23(29)16-19(3)26-25(30)22-9-7-6-8-10-22/h6-10,15,19H,11-14,16H2,1-5H3,(H,26,30).
What are the key properties of N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide?
N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide has a molecular weight of 471.62 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide is sourced from PubChem (CID 46689755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).