N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C23H26ClN3O3S — CID 46522510

About N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 46522510) has the molecular formula C23H26ClN3O3S and a molecular weight of 460.00 g/mol. Its IUPAC name is N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
• PubChem CID: 46522510
• Molecular Formula: C23H26ClN3O3S
• Molecular Weight: 460.00 g/mol
• Exact Mass: 459.14
• IUPAC Name: N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
• SMILES: CCN(CC)C(CNC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccccc1Cl
• InChI: InChI=1S/C23H26ClN3O3S/c1-4-27(5-2)18(16-9-6-7-10-17(16)24)14-25-23(29)21-15(3)13-20(31-21)26-22(28)19-11-8-12-30-19/h6-13,18H,4-5,14H2,1-3H3,(H,25,29)(H,26,28)
• InChIKey: TYYKATGWSDKZTN-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 74.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.00
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 46522510) is N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is CCN(CC)C(CNC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccccc1Cl.

What is the InChIKey of N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?

The InChIKey is TYYKATGWSDKZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3S/c1-4-27(5-2)18(16-9-6-7-10-17(16)24)14-25-23(29)21-15(3)13-20(31-21)26-22(28)19-11-8-12-30-19/h6-13,18H,4-5,14H2,1-3H3,(H,25,29)(H,26,28).

What are the key properties of N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?

N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 460.00 g/mol, XLogP of 5.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46522510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).