N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C23H20N4O3S — CID 46666183

About N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46666183) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 46666183
• Molecular Formula: C23H20N4O3S
• Molecular Weight: 432.51 g/mol
• Exact Mass: 432.13
• IUPAC Name: N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)c(C)c12
• InChI: InChI=1S/C23H20N4O3S/c1-12-18-13(2)24-20(17-7-4-10-30-17)27-23(18)31-19(12)22(29)26-16-6-3-5-15(11-16)25-21(28)14-8-9-14/h3-7,10-11,14H,8-9H2,1-2H3,(H,25,28)(H,26,29)
• InChIKey: XVTJMZHXIQYUIB-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.51
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 46666183) is N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)c(C)c12.

What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is XVTJMZHXIQYUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-12-18-13(2)24-20(17-7-4-10-30-17)27-23(18)31-19(12)22(29)26-16-6-3-5-15(11-16)25-21(28)14-8-9-14/h3-7,10-11,14H,8-9H2,1-2H3,(H,25,28)(H,26,29).

What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46666183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).