3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide

C19H22N2O3S — CID 110343046

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCS(=O)(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-15(16-7-3-2-4-8-16)20-19(22)12-14-25(23,24)21-13-11-17-9-5-6-10-18(17)21/h2-10,15H,11-14H2,1H3,(H,20,22)
InChIKeyDVRJHUQJJWOBOL-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.65
Rot. Bonds6

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide (PubChem CID 110343046) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide
PubChem CID110343046
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCS(=O)(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-15(16-7-3-2-4-8-16)20-19(22)12-14-25(23,24)21-13-11-17-9-5-6-10-18(17)21/h2-10,15H,11-14H2,1H3,(H,20,22)
InChIKeyDVRJHUQJJWOBOL-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine
CID 110948202
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 24588515
N-(4-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
CID 110343101
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide
CID 110343084
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide
CID 110343036
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 110343083
(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 97184970
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110343053
N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide
CID 110342823
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide
CID 110342855
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
(2R)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 51943603

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide (CID 110343046) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide is CC(NC(=O)CCS(=O)(=O)N1CCc2ccccc21)c1ccccc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide?
The InChIKey is DVRJHUQJJWOBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15(16-7-3-2-4-8-16)20-19(22)12-14-25(23,24)21-13-11-17-9-5-6-10-18(17)21/h2-10,15H,11-14H2,1H3,(H,20,22).
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide has a molecular weight of 358.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 110343046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).