2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

C24H26ClN3O4S — CID 69077821

IUPAC2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESC=Cc1ccc2c(c1)CCC(NC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C24H26ClN3O4S/c1-2-16-3-4-18-14-20(8-5-17(18)13-16)27-23(29)15-22-24(30)26-11-12-28(22)33(31,32)21-9-6-19(25)7-10-21/h2-4,6-7,9-10,13,20,22H,1,5,8,11-12,14-15H2,(H,26,30)(H,27,29)/t20?,22-/m1/s1
InChIKeyGRGSOQNNVSBGKN-LWMIZPGFSA-N
MW488.01 g/mol
LogP2.54
Rot. Bonds6

About 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 69077821) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
PubChem CID69077821
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC Name2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESC=Cc1ccc2c(c1)CCC(NC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C24H26ClN3O4S/c1-2-16-3-4-18-14-20(8-5-17(18)13-16)27-23(29)15-22-24(30)26-11-12-28(22)33(31,32)21-9-6-19(25)7-10-21/h2-4,6-7,9-10,13,20,22H,1,5,8,11-12,14-15H2,(H,26,30)(H,27,29)/t20?,22-/m1/s1
InChIKeyGRGSOQNNVSBGKN-LWMIZPGFSA-N
XLogP2.54
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (CID 69077821) is 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is C=Cc1ccc2c(c1)CCC(NC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is GRGSOQNNVSBGKN-LWMIZPGFSA-N. The full InChI is InChI=1S/C24H26ClN3O4S/c1-2-16-3-4-18-14-20(8-5-17(18)13-16)27-23(29)15-22-24(30)26-11-12-28(22)33(31,32)21-9-6-19(25)7-10-21/h2-4,6-7,9-10,13,20,22H,1,5,8,11-12,14-15H2,(H,26,30)(H,27,29)/t20?,22-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 488.01 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 69077821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).