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

C30H30N2O2S — CID 5033394

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

N-tert-butyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-carboxamide (PubChem CID 5033394) has the molecular formula C30H30N2O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-tert-butyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-carboxamide
• PubChem CID: 5033394
• Molecular Formula: C30H30N2O2S
• Molecular Weight: 482.65 g/mol
• Exact Mass: 482.20
• IUPAC Name: N-tert-butyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-carboxamide
• SMILES: CC(C)(C)N(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)c1ccc2ccccc2c1
• InChI: InChI=1S/C30H30N2O2S/c1-30(2,3)32(29(34)24-14-13-21-9-7-8-12-23(21)19-24)20-27(33)31-17-15-26-25(16-18-35-26)28(31)22-10-5-4-6-11-22/h4-14,16,18-19,28H,15,17,20H2,1-3H3
• InChIKey: YZTLOICKQNNCNV-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• 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-tert-butyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-carboxamide?

The IUPAC name of N-tert-butyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-carboxamide (CID 5033394) is N-tert-butyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-carboxamide.

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

The canonical SMILES for N-tert-butyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-carboxamide is CC(C)(C)N(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)c1ccc2ccccc2c1.

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

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

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

N-tert-butyl-N-[2-oxo-2-(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, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 5033394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).