N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide

C15H21N3O3S — CID 95768963

About N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide

N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide (PubChem CID 95768963) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide
• PubChem CID: 95768963
• Molecular Formula: C15H21N3O3S
• Molecular Weight: 323.42 g/mol
• Exact Mass: 323.13
• IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide
• SMILES: CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C15H21N3O3S/c1-9(2)13(18-14(20)11-4-3-7-22-11)15(21)16-8-10-5-6-12(19)17-10/h3-4,7,9-10,13H,5-6,8H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)/t10-,13-/m0/s1
• InChIKey: YHPAXXMRLPZUTQ-GWCFXTLKSA-N
• XLogP: 0.90
• TPSA: 87.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.42
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide (CID 95768963) is N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide is CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1CCC(=O)N1.

What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide?

The InChIKey is YHPAXXMRLPZUTQ-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-9(2)13(18-14(20)11-4-3-7-22-11)15(21)16-8-10-5-6-12(19)17-10/h3-4,7,9-10,13H,5-6,8H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)/t10-,13-/m0/s1.

What are the key properties of N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide?

N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 95768963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).