2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C27H34Cl2N4O4S — CID 69257437

About 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 69257437) has the molecular formula C27H34Cl2N4O4S and a molecular weight of 581.57 g/mol. Its IUPAC name is 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• PubChem CID: 69257437
• Molecular Formula: C27H34Cl2N4O4S
• Molecular Weight: 581.57 g/mol
• Exact Mass: 580.17
• IUPAC Name: 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• SMILES: CC(C)CNCc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C27H34Cl2N4O4S/c1-17(2)15-30-16-18-6-8-21-19(12-18)4-3-5-24(21)32-26(34)14-25-27(35)31-10-11-33(25)38(36,37)20-7-9-22(28)23(29)13-20/h6-9,12-13,17,24-25,30H,3-5,10-11,14-16H2,1-2H3,(H,31,35)(H,32,34)/t24-,25-/m1/s1
• InChIKey: OVJWLZLJJZBYLX-JWQCQUIFSA-N
• XLogP: 3.81
• TPSA: 107.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.57
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The IUPAC name of 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 69257437) is 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

What is the SMILES notation for 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The canonical SMILES for 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CC(C)CNCc1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1.

What is the InChIKey of 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The InChIKey is OVJWLZLJJZBYLX-JWQCQUIFSA-N. The full InChI is InChI=1S/C27H34Cl2N4O4S/c1-17(2)15-30-16-18-6-8-21-19(12-18)4-3-5-24(21)32-26(34)14-25-27(35)31-10-11-33(25)38(36,37)20-7-9-22(28)23(29)13-20/h6-9,12-13,17,24-25,30H,3-5,10-11,14-16H2,1-2H3,(H,31,35)(H,32,34)/t24-,25-/m1/s1.

What are the key properties of 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 581.57 g/mol, XLogP of 3.81, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 69257437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).