N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide

C30H32N2O2S — CID 93111336

About N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide

N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide (PubChem CID 93111336) has the molecular formula C30H32N2O2S and a molecular weight of 484.67 g/mol. Its IUPAC name is N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide
• PubChem CID: 93111336
• Molecular Formula: C30H32N2O2S
• Molecular Weight: 484.67 g/mol
• Exact Mass: 484.22
• IUPAC Name: N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide
• SMILES: CC[C@@H](C)N(CC(=O)N(Cc1ccccc1)Cc1sccc1C)C(=O)c1cccc2ccccc12
• InChI: InChI=1S/C30H32N2O2S/c1-4-23(3)32(30(34)27-16-10-14-25-13-8-9-15-26(25)27)21-29(33)31(19-24-11-6-5-7-12-24)20-28-22(2)17-18-35-28/h5-18,23H,4,19-21H2,1-3H3/t23-/m1/s1
• InChIKey: WMTYEVCGPVCPPL-HSZRJFAPSA-N
• XLogP: 6.68
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.67
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide?

The IUPAC name of N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide (CID 93111336) is N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide.

What is the SMILES notation for N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide?

The canonical SMILES for N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide is CC[C@@H](C)N(CC(=O)N(Cc1ccccc1)Cc1sccc1C)C(=O)c1cccc2ccccc12.

What is the InChIKey of N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide?

The InChIKey is WMTYEVCGPVCPPL-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H32N2O2S/c1-4-23(3)32(30(34)27-16-10-14-25-13-8-9-15-26(25)27)21-29(33)31(19-24-11-6-5-7-12-24)20-28-22(2)17-18-35-28/h5-18,23H,4,19-21H2,1-3H3/t23-/m1/s1.

What are the key properties of N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide?

N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide has a molecular weight of 484.67 g/mol, XLogP of 6.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 93111336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).