N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide

C23H29N3O3S — CID 4520342

About N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide

N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide (PubChem CID 4520342) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
• PubChem CID: 4520342
• Molecular Formula: C23H29N3O3S
• Molecular Weight: 427.57 g/mol
• Exact Mass: 427.19
• IUPAC Name: N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
• SMILES: CCC(C)N(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)Cc1cccs1
• InChI: InChI=1S/C23H29N3O3S/c1-4-18(2)26(22(27)14-21-10-7-13-30-21)17-23(28)25(16-20-9-6-12-29-20)15-19-8-5-11-24(19)3/h5-13,18H,4,14-17H2,1-3H3
• InChIKey: OKKFRPGRCIMFTR-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 58.69 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.57
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide (CID 4520342) is N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide is CCC(C)N(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)Cc1cccs1.

What is the InChIKey of N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?

The InChIKey is OKKFRPGRCIMFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-4-18(2)26(22(27)14-21-10-7-13-30-21)17-23(28)25(16-20-9-6-12-29-20)15-19-8-5-11-24(19)3/h5-13,18H,4,14-17H2,1-3H3.

What are the key properties of N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?

N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide has a molecular weight of 427.57 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 4520342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).