N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide

C15H21N3O2S — CID 79998100

About N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide

N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 79998100) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
• PubChem CID: 79998100
• Molecular Formula: C15H21N3O2S
• Molecular Weight: 307.42 g/mol
• Exact Mass: 307.14
• IUPAC Name: N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
• SMILES: Cc1cc(C(=O)N(CC(N)=O)CC(C)C)sc1C#CCN
• InChI: InChI=1S/C15H21N3O2S/c1-10(2)8-18(9-14(17)19)15(20)13-7-11(3)12(21-13)5-4-6-16/h7,10H,6,8-9,16H2,1-3H3,(H2,17,19)
• InChIKey: MSEYTCHKWCGMTF-UHFFFAOYSA-N
• XLogP: 0.95
• TPSA: 89.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.42
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?

The IUPAC name of N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide (CID 79998100) is N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide.

What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?

The canonical SMILES for N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide is Cc1cc(C(=O)N(CC(N)=O)CC(C)C)sc1C#CCN.

What is the InChIKey of N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?

The InChIKey is MSEYTCHKWCGMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10(2)8-18(9-14(17)19)15(20)13-7-11(3)12(21-13)5-4-6-16/h7,10H,6,8-9,16H2,1-3H3,(H2,17,19).

What are the key properties of N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?

N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 79998100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).