N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide

C30H30N2O2S — CID 92515781

About N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide

N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 92515781) has the molecular formula C30H30N2O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide
• PubChem CID: 92515781
• Molecular Formula: C30H30N2O2S
• Molecular Weight: 482.65 g/mol
• Exact Mass: 482.20
• IUPAC Name: N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide
• SMILES: CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)c1ccc2ccccc2c1
• InChI: InChI=1S/C30H30N2O2S/c1-3-21(2)32(30(34)25-14-13-22-9-7-8-12-24(22)19-25)20-28(33)31-17-15-27-26(16-18-35-27)29(31)23-10-5-4-6-11-23/h4-14,16,18-19,21,29H,3,15,17,20H2,1-2H3/t21-,29-/m0/s1
• InChIKey: PZJKEEBVBOHJNW-LGGPFLRQSA-N
• XLogP: 6.32
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.65
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide?

The IUPAC name of N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide (CID 92515781) is N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide.

What is the SMILES notation for N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide?

The canonical SMILES for N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide is CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)c1ccc2ccccc2c1.

What is the InChIKey of N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide?

The InChIKey is PZJKEEBVBOHJNW-LGGPFLRQSA-N. The full InChI is InChI=1S/C30H30N2O2S/c1-3-21(2)32(30(34)25-14-13-22-9-7-8-12-24(22)19-25)20-28(33)31-17-15-27-26(16-18-35-27)29(31)23-10-5-4-6-11-23/h4-14,16,18-19,21,29H,3,15,17,20H2,1-2H3/t21-,29-/m0/s1.

What are the key properties of N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide?

N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 482.65 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-butan-2-yl]-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 92515781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).