N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide

C28H30N4O3S — CID 46146495

About N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide

N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 46146495) has the molecular formula C28H30N4O3S and a molecular weight of 502.64 g/mol. Its IUPAC name is N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
• PubChem CID: 46146495
• Molecular Formula: C28H30N4O3S
• Molecular Weight: 502.64 g/mol
• Exact Mass: 502.20
• IUPAC Name: N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
• SMILES: COc1ccc(-c2cn(-c3ccc(C)c(C)c3)c(NC(=O)CN(C(=O)c3cccs3)C(C)C)n2)cc1
• InChI: InChI=1S/C28H30N4O3S/c1-18(2)31(27(34)25-7-6-14-36-25)17-26(33)30-28-29-24(21-9-12-23(35-5)13-10-21)16-32(28)22-11-8-19(3)20(4)15-22/h6-16,18H,17H2,1-5H3,(H,29,30,33)
• InChIKey: FLENJHIQKRTSSF-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.64
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide?

The IUPAC name of N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide (CID 46146495) is N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide.

What is the SMILES notation for N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide?

The canonical SMILES for N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide is COc1ccc(-c2cn(-c3ccc(C)c(C)c3)c(NC(=O)CN(C(=O)c3cccs3)C(C)C)n2)cc1.

What is the InChIKey of N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide?

The InChIKey is FLENJHIQKRTSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3S/c1-18(2)31(27(34)25-7-6-14-36-25)17-26(33)30-28-29-24(21-9-12-23(35-5)13-10-21)16-32(28)22-11-8-19(3)20(4)15-22/h6-16,18H,17H2,1-5H3,(H,29,30,33).

What are the key properties of N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide?

N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 502.64 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 46146495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).