N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide

C33H36N2O2S — CID 4673699

About N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide

N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide (PubChem CID 4673699) has the molecular formula C33H36N2O2S and a molecular weight of 524.73 g/mol. Its IUPAC name is N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide
• PubChem CID: 4673699
• Molecular Formula: C33H36N2O2S
• Molecular Weight: 524.73 g/mol
• Exact Mass: 524.25
• IUPAC Name: N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide
• SMILES: CC(C)N(CC(=O)N1CCc2sccc2C1c1ccc(C(C)(C)C)cc1)C(=O)c1ccc2ccccc2c1
• InChI: InChI=1S/C33H36N2O2S/c1-22(2)35(32(37)26-11-10-23-8-6-7-9-25(23)20-26)21-30(36)34-18-16-29-28(17-19-38-29)31(34)24-12-14-27(15-13-24)33(3,4)5/h6-15,17,19-20,22,31H,16,18,21H2,1-5H3
• InChIKey: QYWSPVLEVONVQZ-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.73
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide?

The IUPAC name of N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide (CID 4673699) is N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide.

What is the SMILES notation for N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide?

The canonical SMILES for N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide is CC(C)N(CC(=O)N1CCc2sccc2C1c1ccc(C(C)(C)C)cc1)C(=O)c1ccc2ccccc2c1.

What is the InChIKey of N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide?

The InChIKey is QYWSPVLEVONVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O2S/c1-22(2)35(32(37)26-11-10-23-8-6-7-9-25(23)20-26)21-30(36)34-18-16-29-28(17-19-38-29)31(34)24-12-14-27(15-13-24)33(3,4)5/h6-15,17,19-20,22,31H,16,18,21H2,1-5H3.

What are the key properties of N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide?

N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide has a molecular weight of 524.73 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 4673699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).