N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide

C28H32N2O3S — CID 4213089

About N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide

N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 4213089) has the molecular formula C28H32N2O3S and a molecular weight of 476.64 g/mol. Its IUPAC name is N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 4213089
• Molecular Formula: C28H32N2O3S
• Molecular Weight: 476.64 g/mol
• Exact Mass: 476.21
• IUPAC Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
• SMILES: Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC2CCCO2)C(=O)c2ccccc2C)s1
• InChI: InChI=1S/C28H32N2O3S/c1-21-9-6-7-13-26(21)28(32)30(18-24-12-8-16-33-24)20-27(31)29(17-23-10-4-3-5-11-23)19-25-15-14-22(2)34-25/h3-7,9-11,13-15,24H,8,12,16-20H2,1-2H3
• InChIKey: WVUXUMDNBDQMOO-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.64
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?

The IUPAC name of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 4213089) is N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide.

What is the SMILES notation for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?

The canonical SMILES for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC2CCCO2)C(=O)c2ccccc2C)s1.

What is the InChIKey of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?

The InChIKey is WVUXUMDNBDQMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3S/c1-21-9-6-7-13-26(21)28(32)30(18-24-12-8-16-33-24)20-27(31)29(17-23-10-4-3-5-11-23)19-25-15-14-22(2)34-25/h3-7,9-11,13-15,24H,8,12,16-20H2,1-2H3.

What are the key properties of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?

N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 476.64 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 4213089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).