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

C22H26N2O4S — CID 20853385

IUPAC3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCCc3ccc(C)cc3)ccc21
InChIInChI=1S/C22H26N2O4S/c1-16-3-5-18(6-4-16)9-12-23-22(26)11-14-29(27,28)20-7-8-21-19(15-20)10-13-24(21)17(2)25/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyRBKPFIWTYVYUMC-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.43
Rot. Bonds7

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

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide (PubChem CID 20853385) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide
PubChem CID20853385
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCCc3ccc(C)cc3)ccc21
InChIInChI=1S/C22H26N2O4S/c1-16-3-5-18(6-4-16)9-12-23-22(26)11-14-29(27,28)20-7-8-21-19(15-20)10-13-24(21)17(2)25/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyRBKPFIWTYVYUMC-UHFFFAOYSA-N
XLogP2.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide (CID 20853385) is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide is CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCCc3ccc(C)cc3)ccc21.
What is the InChIKey of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is RBKPFIWTYVYUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-16-3-5-18(6-4-16)9-12-23-22(26)11-14-29(27,28)20-7-8-21-19(15-20)10-13-24(21)17(2)25/h3-8,15H,9-14H2,1-2H3,(H,23,26).
What are the key properties of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide?
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 414.53 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 20853385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).