N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide

C26H34N2O6S — CID 20853452

About N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide

N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (PubChem CID 20853452) has the molecular formula C26H34N2O6S and a molecular weight of 502.63 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

Molecular Properties

• Compound Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
• PubChem CID: 20853452
• Molecular Formula: C26H34N2O6S
• Molecular Weight: 502.63 g/mol
• Exact Mass: 502.21
• IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
• SMILES: CCOc1ccc(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1OCC
• InChI: InChI=1S/C26H34N2O6S/c1-4-26(30)28-15-12-20-18-21(8-9-22(20)28)35(31,32)16-13-25(29)27-14-11-19-7-10-23(33-5-2)24(17-19)34-6-3/h7-10,17-18H,4-6,11-16H2,1-3H3,(H,27,29)
• InChIKey: USULBBHTEFILSC-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 102.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.63
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?

The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (CID 20853452) is N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?

The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is CCOc1ccc(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1OCC.

What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?

The InChIKey is USULBBHTEFILSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6S/c1-4-26(30)28-15-12-20-18-21(8-9-22(20)28)35(31,32)16-13-25(29)27-14-11-19-7-10-23(33-5-2)24(17-19)34-6-3/h7-10,17-18H,4-6,11-16H2,1-3H3,(H,27,29).

What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?

N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide has a molecular weight of 502.63 g/mol, XLogP of 3.31, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 20853452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).