3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

C23H22N4O3S2 — CID 23861077

About 3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23861077) has the molecular formula C23H22N4O3S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 23861077
• Molecular Formula: C23H22N4O3S2
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.11
• IUPAC Name: 3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: COc1ccc(-c2csc(NC(=O)c3sc4nc(C(C)C)ccc4c3N)c2C(N)=O)cc1
• InChI: InChI=1S/C23H22N4O3S2/c1-11(2)16-9-8-14-18(24)19(32-22(14)26-16)21(29)27-23-17(20(25)28)15(10-31-23)12-4-6-13(30-3)7-5-12/h4-11H,24H2,1-3H3,(H2,25,28)(H,27,29)
• InChIKey: RCKFBYCFJGPNLC-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 120.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.59
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 23861077) is 3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2csc(NC(=O)c3sc4nc(C(C)C)ccc4c3N)c2C(N)=O)cc1.

What is the InChIKey of 3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is RCKFBYCFJGPNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S2/c1-11(2)16-9-8-14-18(24)19(32-22(14)26-16)21(29)27-23-17(20(25)28)15(10-31-23)12-4-6-13(30-3)7-5-12/h4-11H,24H2,1-3H3,(H2,25,28)(H,27,29).

What are the key properties of 3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 5.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23861077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).