N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-propylbenzamide

C26H30N2O3S — CID 5038624

About N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-propylbenzamide

N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-propylbenzamide (PubChem CID 5038624) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-propylbenzamide.

Molecular Properties

• Compound Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-propylbenzamide
• PubChem CID: 5038624
• Molecular Formula: C26H30N2O3S
• Molecular Weight: 450.60 g/mol
• Exact Mass: 450.20
• IUPAC Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-propylbenzamide
• SMILES: CCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)c1cccc(OC)c1
• InChI: InChI=1S/C26H30N2O3S/c1-4-15-27(26(30)22-11-8-12-23(16-22)31-3)19-25(29)28(17-21-9-6-5-7-10-21)18-24-14-13-20(2)32-24/h5-14,16H,4,15,17-19H2,1-3H3
• InChIKey: QSVCQEPFBSHBIS-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.60
LogP ≤ 5	5.15
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]-3-methoxy-N-propylbenzamide?

The IUPAC name of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-propylbenzamide (CID 5038624) is N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-propylbenzamide.

What is the SMILES notation for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-propylbenzamide?

The canonical SMILES for N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-propylbenzamide is CCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)c1cccc(OC)c1.

What is the InChIKey of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-propylbenzamide?

The InChIKey is QSVCQEPFBSHBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-4-15-27(26(30)22-11-8-12-23(16-22)31-3)19-25(29)28(17-21-9-6-5-7-10-21)18-24-14-13-20(2)32-24/h5-14,16H,4,15,17-19H2,1-3H3.

What are the key properties of N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-propylbenzamide?

N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-propylbenzamide has a molecular weight of 450.60 g/mol, XLogP of 5.15, 10 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]-3-methoxy-N-propylbenzamide is sourced from PubChem (CID 5038624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).