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

C24H31N3O4S — CID 38073776

IUPACN-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)c1C
InChIInChI=1S/C24H31N3O4S/c1-17-14-18(2)20(4)24(19(17)3)32(30,31)27-12-10-26(11-13-27)23(29)16-25-22(28)15-21-8-6-5-7-9-21/h5-9,14H,10-13,15-16H2,1-4H3,(H,25,28)
InChIKeyLPDASZOXGXNCMI-UHFFFAOYSA-N
MW457.60 g/mol
LogP2.11
Rot. Bonds6

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

N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide (PubChem CID 38073776) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide
PubChem CID38073776
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)c1C
InChIInChI=1S/C24H31N3O4S/c1-17-14-18(2)20(4)24(19(17)3)32(30,31)27-12-10-26(11-13-27)23(29)16-25-22(28)15-21-8-6-5-7-9-21/h5-9,14H,10-13,15-16H2,1-4H3,(H,25,28)
InChIKeyLPDASZOXGXNCMI-UHFFFAOYSA-N
XLogP2.11
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide
CID 46689755
N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 2688191
N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 35677124
2-(4-bromophenyl)-N-[2-oxo-1-phenyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 166353624
N-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide
CID 17487848
2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265641
1-benzyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
CID 71903213
N-benzyl-N-[(4-bromophenyl)methyl]-2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 166347847
3-(2-methylpropoxy)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 39271680
N-[2-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]benzamide
CID 108567929
2,2-dimethyl-N-[2-oxo-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]ethyl]propanamide
CID 27796788
N-[(2S)-4-phenylbutan-2-yl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26290785

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide (CID 38073776) is N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)Cc3ccccc3)CC2)c1C.
What is the InChIKey of N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide?
The InChIKey is LPDASZOXGXNCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-17-14-18(2)20(4)24(19(17)3)32(30,31)27-12-10-26(11-13-27)23(29)16-25-22(28)15-21-8-6-5-7-9-21/h5-9,14H,10-13,15-16H2,1-4H3,(H,25,28).
What are the key properties of N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide?
N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide has a molecular weight of 457.60 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 38073776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).