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

C30H30N2O3S — CID 4688316

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

N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide (PubChem CID 4688316) has the molecular formula C30H30N2O3S and a molecular weight of 498.65 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-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-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide
• PubChem CID: 4688316
• Molecular Formula: C30H30N2O3S
• Molecular Weight: 498.65 g/mol
• Exact Mass: 498.20
• IUPAC Name: N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide
• SMILES: COc1ccc(C2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc3ccccc3c2)C(C)C)cc1
• InChI: InChI=1S/C30H30N2O3S/c1-20(2)32(30(34)24-9-8-21-6-4-5-7-23(21)18-24)19-28(33)31-16-14-27-26(15-17-36-27)29(31)22-10-12-25(35-3)13-11-22/h4-13,15,17-18,20,29H,14,16,19H2,1-3H3
• InChIKey: ZGFJWQSFKOQGRJ-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.65
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-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-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide (CID 4688316) is N-[2-[4-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide is COc1ccc(C2c3ccsc3CCN2C(=O)CN(C(=O)c2ccc3ccccc3c2)C(C)C)cc1.

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

The InChIKey is ZGFJWQSFKOQGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3S/c1-20(2)32(30(34)24-9-8-21-6-4-5-7-23(21)18-24)19-28(33)31-16-14-27-26(15-17-36-27)29(31)22-10-12-25(35-3)13-11-22/h4-13,15,17-18,20,29H,14,16,19H2,1-3H3.

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

N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide has a molecular weight of 498.65 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 4688316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).