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

C24H30N2O4S — CID 20853340

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

N-ethyl-N-(3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (PubChem CID 20853340) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

Molecular Properties

• Compound Name: N-ethyl-N-(3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
• PubChem CID: 20853340
• Molecular Formula: C24H30N2O4S
• Molecular Weight: 442.58 g/mol
• Exact Mass: 442.19
• IUPAC Name: N-ethyl-N-(3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
• SMILES: CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N(CC)c3cccc(C)c3)cc2CC1C
• InChI: InChI=1S/C24H30N2O4S/c1-5-23(27)26-18(4)15-19-16-21(10-11-22(19)26)31(29,30)13-12-24(28)25(6-2)20-9-7-8-17(3)14-20/h7-11,14,16,18H,5-6,12-13,15H2,1-4H3
• InChIKey: PCYNJMYLSYOQHA-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 74.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.58
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-ethyl-N-(3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (CID 20853340) is N-ethyl-N-(3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

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

The canonical SMILES for N-ethyl-N-(3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N(CC)c3cccc(C)c3)cc2CC1C.

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

The InChIKey is PCYNJMYLSYOQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-5-23(27)26-18(4)15-19-16-21(10-11-22(19)26)31(29,30)13-12-24(28)25(6-2)20-9-7-8-17(3)14-20/h7-11,14,16,18H,5-6,12-13,15H2,1-4H3.

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

N-ethyl-N-(3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide has a molecular weight of 442.58 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-(3-methylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 20853340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).