N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

C27H28N4O5S — CID 42827111

About N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 42827111) has the molecular formula C27H28N4O5S and a molecular weight of 520.61 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
• PubChem CID: 42827111
• Molecular Formula: C27H28N4O5S
• Molecular Weight: 520.61 g/mol
• Exact Mass: 520.18
• IUPAC Name: N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
• SMILES: COCCN(CC(=O)Nc1nc(-c2cccc(OC)c2)cn1-c1ccc(OC)cc1)C(=O)c1cccs1
• InChI: InChI=1S/C27H28N4O5S/c1-34-14-13-30(26(33)24-8-5-15-37-24)18-25(32)29-27-28-23(19-6-4-7-22(16-19)36-3)17-31(27)20-9-11-21(35-2)12-10-20/h4-12,15-17H,13-14,18H2,1-3H3,(H,28,29,32)
• InChIKey: ITDFLJRCTBSMIW-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 94.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.61
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?

The IUPAC name of N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 42827111) is N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.

What is the SMILES notation for N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?

The canonical SMILES for N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is COCCN(CC(=O)Nc1nc(-c2cccc(OC)c2)cn1-c1ccc(OC)cc1)C(=O)c1cccs1.

What is the InChIKey of N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?

The InChIKey is ITDFLJRCTBSMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5S/c1-34-14-13-30(26(33)24-8-5-15-37-24)18-25(32)29-27-28-23(19-6-4-7-22(16-19)36-3)17-31(27)20-9-11-21(35-2)12-10-20/h4-12,15-17H,13-14,18H2,1-3H3,(H,28,29,32).

What are the key properties of N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?

N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 520.61 g/mol, XLogP of 4.35, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 42827111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).