N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide

C26H28ClN5O5S — CID 66853350

About N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide

N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 66853350) has the molecular formula C26H28ClN5O5S and a molecular weight of 558.06 g/mol. Its IUPAC name is N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
• PubChem CID: 66853350
• Molecular Formula: C26H28ClN5O5S
• Molecular Weight: 558.06 g/mol
• Exact Mass: 557.15
• IUPAC Name: N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
• SMILES: CC(=O)N[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1
• InChI: InChI=1S/C26H28ClN5O5S/c1-16-28-13-22-14-31(26(35)32(16)22)21-7-9-30(10-8-21)25(34)24(29-17(2)33)15-38(36,37)23-6-4-18-11-20(27)5-3-19(18)12-23/h3-6,11-13,21,24H,7-10,14-15H2,1-2H3,(H,29,33)/t24-/m1/s1
• InChIKey: VUPZDRIEJJWYRJ-XMMPIXPASA-N
• XLogP: 2.75
• TPSA: 121.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.06
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?

The IUPAC name of N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 66853350) is N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide.

What is the SMILES notation for N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?

The canonical SMILES for N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)N[C@H](CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)N1CCC(N2Cc3cnc(C)n3C2=O)CC1.

What is the InChIKey of N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?

The InChIKey is VUPZDRIEJJWYRJ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H28ClN5O5S/c1-16-28-13-22-14-31(26(35)32(16)22)21-7-9-30(10-8-21)25(34)24(29-17(2)33)15-38(36,37)23-6-4-18-11-20(27)5-3-19(18)12-23/h3-6,11-13,21,24H,7-10,14-15H2,1-2H3,(H,29,33)/t24-/m1/s1.

What are the key properties of N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?

N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 558.06 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 66853350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).