naphthalen-2-yl N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]carbamate

C28H30N4O6S — CID 68888674

About naphthalen-2-yl N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]carbamate

naphthalen-2-yl N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]carbamate (PubChem CID 68888674) has the molecular formula C28H30N4O6S and a molecular weight of 550.64 g/mol. Its IUPAC name is naphthalen-2-yl N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]carbamate.

Molecular Properties

• Compound Name: naphthalen-2-yl N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]carbamate
• PubChem CID: 68888674
• Molecular Formula: C28H30N4O6S
• Molecular Weight: 550.64 g/mol
• Exact Mass: 550.19
• IUPAC Name: naphthalen-2-yl N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]carbamate
• SMILES: CC(C)CC(NC(=O)Oc1ccc2ccccc2c1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1
• InChI: InChI=1S/C28H30N4O6S/c1-18(2)14-23(30-28(35)38-21-10-9-19-6-3-4-7-20(19)15-21)27(34)31-13-11-24-26(31)25(33)17-32(24)39(36,37)22-8-5-12-29-16-22/h3-10,12,15-16,18,23-24,26H,11,13-14,17H2,1-2H3,(H,30,35)
• InChIKey: WZNIKCWKSVATNB-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 125.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.64
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]carbamate?

The IUPAC name of naphthalen-2-yl N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]carbamate (CID 68888674) is naphthalen-2-yl N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]carbamate.

What is the SMILES notation for naphthalen-2-yl N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]carbamate?

The canonical SMILES for naphthalen-2-yl N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]carbamate is CC(C)CC(NC(=O)Oc1ccc2ccccc2c1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1.

What is the InChIKey of naphthalen-2-yl N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]carbamate?

The InChIKey is WZNIKCWKSVATNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O6S/c1-18(2)14-23(30-28(35)38-21-10-9-19-6-3-4-7-20(19)15-21)27(34)31-13-11-24-26(31)25(33)17-32(24)39(36,37)22-8-5-12-29-16-22/h3-10,12,15-16,18,23-24,26H,11,13-14,17H2,1-2H3,(H,30,35).

What are the key properties of naphthalen-2-yl N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]carbamate?

naphthalen-2-yl N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]carbamate has a molecular weight of 550.64 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for naphthalen-2-yl N-[4-methyl-1-oxo-1-(6-oxo-4-pyridin-3-ylsulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 68888674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).