N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide

C19H23N3O2S — CID 4260405

About N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide

N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 4260405) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide
• PubChem CID: 4260405
• Molecular Formula: C19H23N3O2S
• Molecular Weight: 357.48 g/mol
• Exact Mass: 357.15
• IUPAC Name: N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide
• SMILES: C=CCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)c1cccs1
• InChI: InChI=1S/C19H23N3O2S/c1-3-10-21(19(24)17-7-5-12-25-17)14-18(23)22(15-8-9-15)13-16-6-4-11-20(16)2/h3-7,11-12,15H,1,8-10,13-14H2,2H3
• InChIKey: IKGBNMWAESHYJB-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 45.55 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.48
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide?

The IUPAC name of N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide (CID 4260405) is N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide.

What is the SMILES notation for N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide?

The canonical SMILES for N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide is C=CCN(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)c1cccs1.

What is the InChIKey of N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide?

The InChIKey is IKGBNMWAESHYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-3-10-21(19(24)17-7-5-12-25-17)14-18(23)22(15-8-9-15)13-16-6-4-11-20(16)2/h3-7,11-12,15H,1,8-10,13-14H2,2H3.

What are the key properties of N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide?

N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 4260405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).