N,N,5,7-tetramethyl-3-[4-[2-[(2-pyridin-2-ylacetyl)amino]ethyl]phenyl]-1-benzothiophene-2-carboxamide

C28H29N3O2S — CID 53320544

About N,N,5,7-tetramethyl-3-[4-[2-[(2-pyridin-2-ylacetyl)amino]ethyl]phenyl]-1-benzothiophene-2-carboxamide

N,N,5,7-tetramethyl-3-[4-[2-[(2-pyridin-2-ylacetyl)amino]ethyl]phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 53320544) has the molecular formula C28H29N3O2S and a molecular weight of 471.63 g/mol. Its IUPAC name is N,N,5,7-tetramethyl-3-[4-[2-[(2-pyridin-2-ylacetyl)amino]ethyl]phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: N,N,5,7-tetramethyl-3-[4-[2-[(2-pyridin-2-ylacetyl)amino]ethyl]phenyl]-1-benzothiophene-2-carboxamide
• PubChem CID: 53320544
• Molecular Formula: C28H29N3O2S
• Molecular Weight: 471.63 g/mol
• Exact Mass: 471.20
• IUPAC Name: N,N,5,7-tetramethyl-3-[4-[2-[(2-pyridin-2-ylacetyl)amino]ethyl]phenyl]-1-benzothiophene-2-carboxamide
• SMILES: Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)Cc4ccccn4)cc3)c2c1
• InChI: InChI=1S/C28H29N3O2S/c1-18-15-19(2)26-23(16-18)25(27(34-26)28(33)31(3)4)21-10-8-20(9-11-21)12-14-30-24(32)17-22-7-5-6-13-29-22/h5-11,13,15-16H,12,14,17H2,1-4H3,(H,30,32)
• InChIKey: LSNPUSKSGBZRJH-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.63
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,N,5,7-tetramethyl-3-[4-[2-[(2-pyridin-2-ylacetyl)amino]ethyl]phenyl]-1-benzothiophene-2-carboxamide?

The IUPAC name of N,N,5,7-tetramethyl-3-[4-[2-[(2-pyridin-2-ylacetyl)amino]ethyl]phenyl]-1-benzothiophene-2-carboxamide (CID 53320544) is N,N,5,7-tetramethyl-3-[4-[2-[(2-pyridin-2-ylacetyl)amino]ethyl]phenyl]-1-benzothiophene-2-carboxamide.

What is the SMILES notation for N,N,5,7-tetramethyl-3-[4-[2-[(2-pyridin-2-ylacetyl)amino]ethyl]phenyl]-1-benzothiophene-2-carboxamide?

The canonical SMILES for N,N,5,7-tetramethyl-3-[4-[2-[(2-pyridin-2-ylacetyl)amino]ethyl]phenyl]-1-benzothiophene-2-carboxamide is Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCNC(=O)Cc4ccccn4)cc3)c2c1.

What is the InChIKey of N,N,5,7-tetramethyl-3-[4-[2-[(2-pyridin-2-ylacetyl)amino]ethyl]phenyl]-1-benzothiophene-2-carboxamide?

The InChIKey is LSNPUSKSGBZRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2S/c1-18-15-19(2)26-23(16-18)25(27(34-26)28(33)31(3)4)21-10-8-20(9-11-21)12-14-30-24(32)17-22-7-5-6-13-29-22/h5-11,13,15-16H,12,14,17H2,1-4H3,(H,30,32).

What are the key properties of N,N,5,7-tetramethyl-3-[4-[2-[(2-pyridin-2-ylacetyl)amino]ethyl]phenyl]-1-benzothiophene-2-carboxamide?

N,N,5,7-tetramethyl-3-[4-[2-[(2-pyridin-2-ylacetyl)amino]ethyl]phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 471.63 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,5,7-tetramethyl-3-[4-[2-[(2-pyridin-2-ylacetyl)amino]ethyl]phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 53320544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).