N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C19H21N3O3S — CID 32634841

About N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 32634841) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
• PubChem CID: 32634841
• Molecular Formula: C19H21N3O3S
• Molecular Weight: 371.46 g/mol
• Exact Mass: 371.13
• IUPAC Name: N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
• SMILES: CN(C)[C@H](CNC(=O)c1ccc(Cn2ccccc2=O)o1)c1ccsc1
• InChI: InChI=1S/C19H21N3O3S/c1-21(2)16(14-8-10-26-13-14)11-20-19(24)17-7-6-15(25-17)12-22-9-4-3-5-18(22)23/h3-10,13,16H,11-12H2,1-2H3,(H,20,24)/t16-/m1/s1
• InChIKey: OEWBZFUYZLQOPG-MRXNPFEDSA-N
• XLogP: 2.58
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.46
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 32634841) is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is CN(C)[C@H](CNC(=O)c1ccc(Cn2ccccc2=O)o1)c1ccsc1.

What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

The InChIKey is OEWBZFUYZLQOPG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-21(2)16(14-8-10-26-13-14)11-20-19(24)17-7-6-15(25-17)12-22-9-4-3-5-18(22)23/h3-10,13,16H,11-12H2,1-2H3,(H,20,24)/t16-/m1/s1.

What are the key properties of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 32634841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).