N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide

C29H30N2O2S — CID 1059752

About N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide

N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide (PubChem CID 1059752) has the molecular formula C29H30N2O2S and a molecular weight of 470.64 g/mol. Its IUPAC name is N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide
• PubChem CID: 1059752
• Molecular Formula: C29H30N2O2S
• Molecular Weight: 470.64 g/mol
• Exact Mass: 470.20
• IUPAC Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide
• SMILES: Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)c2ccc3ccccc3c2)C(C)C)s1
• InChI: InChI=1S/C29H30N2O2S/c1-21(2)31(29(33)26-15-14-24-11-7-8-12-25(24)17-26)20-28(32)30(18-23-9-5-4-6-10-23)19-27-16-13-22(3)34-27/h4-17,21H,18-20H2,1-3H3
• InChIKey: BZRDZDOZAAQCGC-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.64
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide?

The IUPAC name of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide (CID 1059752) is N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide.

What is the SMILES notation for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide?

The canonical SMILES for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide is Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)c2ccc3ccccc3c2)C(C)C)s1.

What is the InChIKey of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide?

The InChIKey is BZRDZDOZAAQCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O2S/c1-21(2)31(29(33)26-15-14-24-11-7-8-12-25(24)17-26)20-28(32)30(18-23-9-5-4-6-10-23)19-27-16-13-22(3)34-27/h4-17,21H,18-20H2,1-3H3.

What are the key properties of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide?

N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide has a molecular weight of 470.64 g/mol, XLogP of 6.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 1059752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).