9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate

C30H27NO4S — CID 70059068

About 9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate

9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate (PubChem CID 70059068) has the molecular formula C30H27NO4S and a molecular weight of 497.62 g/mol. Its IUPAC name is 9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate
• PubChem CID: 70059068
• Molecular Formula: C30H27NO4S
• Molecular Weight: 497.62 g/mol
• Exact Mass: 497.17
• IUPAC Name: 9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate
• SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)CSCc1ccco1)OCc1cccc2c1Cc1ccccc1-2
• InChI: InChI=1S/C30H27NO4S/c32-29(20-36-19-24-12-7-15-34-24)28(16-21-8-2-1-3-9-21)31-30(33)35-18-23-11-6-14-26-25-13-5-4-10-22(25)17-27(23)26/h1-15,28H,16-20H2,(H,31,33)/t28-/m0/s1
• InChIKey: DTGVGRZQTHGXRG-NDEPHWFRSA-N
• XLogP: 6.19
• TPSA: 68.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.62
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate?

The IUPAC name of 9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate (CID 70059068) is 9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate.

What is the SMILES notation for 9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate?

The canonical SMILES for 9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate is O=C(N[C@@H](Cc1ccccc1)C(=O)CSCc1ccco1)OCc1cccc2c1Cc1ccccc1-2.

What is the InChIKey of 9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate?

The InChIKey is DTGVGRZQTHGXRG-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H27NO4S/c32-29(20-36-19-24-12-7-15-34-24)28(16-21-8-2-1-3-9-21)31-30(33)35-18-23-11-6-14-26-25-13-5-4-10-22(25)17-27(23)26/h1-15,28H,16-20H2,(H,31,33)/t28-/m0/s1.

What are the key properties of 9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate?

9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate has a molecular weight of 497.62 g/mol, XLogP of 6.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-1-ylmethyl N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 70059068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).