N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide

C20H23N3O3S — CID 8748790

About N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide

N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide (PubChem CID 8748790) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide
• PubChem CID: 8748790
• Molecular Formula: C20H23N3O3S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.15
• IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide
• SMILES: CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(N2CCCC2=O)cc1
• InChI: InChI=1S/C20H23N3O3S/c1-13(2)18(22-19(25)16-5-4-12-27-16)20(26)21-14-7-9-15(10-8-14)23-11-3-6-17(23)24/h4-5,7-10,12-13,18H,3,6,11H2,1-2H3,(H,21,26)(H,22,25)/t18-/m0/s1
• InChIKey: MZVBHTVUVWWUQU-SFHVURJKSA-N
• XLogP: 3.27
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide (CID 8748790) is N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide is CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1ccc(N2CCCC2=O)cc1.

What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide?

The InChIKey is MZVBHTVUVWWUQU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13(2)18(22-19(25)16-5-4-12-27-16)20(26)21-14-7-9-15(10-8-14)23-11-3-6-17(23)24/h4-5,7-10,12-13,18H,3,6,11H2,1-2H3,(H,21,26)(H,22,25)/t18-/m0/s1.

What are the key properties of N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide?

N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 8748790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).