(2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide

C23H31N3O3S — CID 40972974

IUPAC(2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c(C)c1C
InChIInChI=1S/C23H31N3O3S/c1-15-16(2)18(4)22(19(5)17(15)3)30(28,29)26-13-11-25(12-14-26)21(23(24)27)20-9-7-6-8-10-20/h6-10,21H,11-14H2,1-5H3,(H2,24,27)/t21-/m1/s1
InChIKeyACOAQXJDGSSSAF-OAQYLSRUSA-N
MW429.59 g/mol
LogP2.76
Rot. Bonds5

About (2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide

(2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide (PubChem CID 40972974) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is (2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
PubChem CID40972974
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name(2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c(C)c1C
InChIInChI=1S/C23H31N3O3S/c1-15-16(2)18(4)22(19(5)17(15)3)30(28,29)26-13-11-25(12-14-26)21(23(24)27)20-9-7-6-8-10-20/h6-10,21H,11-14H2,1-5H3,(H2,24,27)/t21-/m1/s1
InChIKeyACOAQXJDGSSSAF-OAQYLSRUSA-N
XLogP2.76
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-phenylacetamide
CID 34787872
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
(2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propanoic acid
CID 129414986
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 55491055
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8692627
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide
CID 63574186
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
CID 16961675

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide (CID 40972974) is (2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide is Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c(C)c1C.
What is the InChIKey of (2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
The InChIKey is ACOAQXJDGSSSAF-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-15-16(2)18(4)22(19(5)17(15)3)30(28,29)26-13-11-25(12-14-26)21(23(24)27)20-9-7-6-8-10-20/h6-10,21H,11-14H2,1-5H3,(H2,24,27)/t21-/m1/s1.
What are the key properties of (2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide?
(2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide has a molecular weight of 429.59 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 40972974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).