3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylpropanamide

C22H26N2O4S — CID 15990781

IUPAC3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C22H26N2O4S/c1-3-23(16-18-7-5-4-6-8-18)22(26)12-14-29(27,28)20-9-10-21-19(15-20)11-13-24(21)17(2)25/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyWGGQLHWRQDNUKU-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.81
Rot. Bonds7

About 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylpropanamide

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylpropanamide (PubChem CID 15990781) 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-benzyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylpropanamide
PubChem CID15990781
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C22H26N2O4S/c1-3-23(16-18-7-5-4-6-8-18)22(26)12-14-29(27,28)20-9-10-21-19(15-20)11-13-24(21)17(2)25/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyWGGQLHWRQDNUKU-UHFFFAOYSA-N
XLogP2.81
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.81
H-Bond Donors ≤ 50
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-benzyl-N-ethylpropanamide?
The IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylpropanamide (CID 15990781) is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylpropanamide.
What is the SMILES notation for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylpropanamide?
The canonical SMILES for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylpropanamide?
The InChIKey is WGGQLHWRQDNUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-3-23(16-18-7-5-4-6-8-18)22(26)12-14-29(27,28)20-9-10-21-19(15-20)11-13-24(21)17(2)25/h4-10,15H,3,11-14,16H2,1-2H3.
What are the key properties of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylpropanamide?
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylpropanamide has a molecular weight of 414.53 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 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-benzyl-N-ethylpropanamide is sourced from PubChem (CID 15990781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).