4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide

C31H37N3O6S — CID 1061522

About 4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide

4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide (PubChem CID 1061522) has the molecular formula C31H37N3O6S and a molecular weight of 579.72 g/mol. Its IUPAC name is 4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
• PubChem CID: 1061522
• Molecular Formula: C31H37N3O6S
• Molecular Weight: 579.72 g/mol
• Exact Mass: 579.24
• IUPAC Name: 4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
• SMILES: COc1ccc(C(=O)N(CC=Cc2ccccc2OC)CCN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
• InChI: InChI=1S/C31H37N3O6S/c1-38-27-12-10-26(11-13-27)31(35)33(18-6-8-25-7-4-5-9-30(25)40-3)22-19-32-20-23-34(24-21-32)41(36,37)29-16-14-28(39-2)15-17-29/h4-17H,18-24H2,1-3H3
• InChIKey: XDOLXGKRNOSSCT-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 88.62 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.72
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?

The IUPAC name of 4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide (CID 1061522) is 4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide.

What is the SMILES notation for 4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?

The canonical SMILES for 4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide is COc1ccc(C(=O)N(CC=Cc2ccccc2OC)CCN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1.

What is the InChIKey of 4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?

The InChIKey is XDOLXGKRNOSSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O6S/c1-38-27-12-10-26(11-13-27)31(35)33(18-6-8-25-7-4-5-9-30(25)40-3)22-19-32-20-23-34(24-21-32)41(36,37)29-16-14-28(39-2)15-17-29/h4-17H,18-24H2,1-3H3.

What are the key properties of 4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?

4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide has a molecular weight of 579.72 g/mol, XLogP of 3.87, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 1061522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).