N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C21H22N2O3S — CID 4780412

About N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 4780412) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
• PubChem CID: 4780412
• Molecular Formula: C21H22N2O3S
• Molecular Weight: 382.49 g/mol
• Exact Mass: 382.14
• IUPAC Name: N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
• SMILES: Cc1ccc(CN(C)C(=O)C(Cc2ccccc2)NC(=O)c2cccs2)o1
• InChI: InChI=1S/C21H22N2O3S/c1-15-10-11-17(26-15)14-23(2)21(25)18(13-16-7-4-3-5-8-16)22-20(24)19-9-6-12-27-19/h3-12,18H,13-14H2,1-2H3,(H,22,24)
• InChIKey: ZWFIADOUSDDEMB-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.49
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 4780412) is N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is Cc1ccc(CN(C)C(=O)C(Cc2ccccc2)NC(=O)c2cccs2)o1.

What is the InChIKey of N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

The InChIKey is ZWFIADOUSDDEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-15-10-11-17(26-15)14-23(2)21(25)18(13-16-7-4-3-5-8-16)22-20(24)19-9-6-12-27-19/h3-12,18H,13-14H2,1-2H3,(H,22,24).

What are the key properties of N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?

N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 4780412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).