(2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide

C15H22N2O4S — CID 100717934

IUPAC(2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)N[C@@H](C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H22N2O4S/c1-11(21-3)10-22(19,20)16-12(2)15(18)17-9-8-13-6-4-5-7-14(13)17/h4-7,11-12,16H,8-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyAZURFLDYNXTACG-NEPJUHHUSA-N
MW326.42 g/mol
LogP0.92
Rot. Bonds6

About (2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide

(2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide (PubChem CID 100717934) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide
PubChem CID100717934
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@H](C)CS(=O)(=O)N[C@@H](C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H22N2O4S/c1-11(21-3)10-22(19,20)16-12(2)15(18)17-9-8-13-6-4-5-7-14(13)17/h4-7,11-12,16H,8-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyAZURFLDYNXTACG-NEPJUHHUSA-N
XLogP0.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide with MolForge

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Related Compounds

1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 75357606
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]propane-1-sulfonamide
CID 110351767
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide
CID 110348178
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide
CID 110348158
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide
CID 110348973
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544
phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348139
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide?
The IUPAC name of (2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide (CID 100717934) is (2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide.
What is the SMILES notation for (2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide?
The canonical SMILES for (2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide is CO[C@H](C)CS(=O)(=O)N[C@@H](C)C(=O)N1CCc2ccccc21.
What is the InChIKey of (2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide?
The InChIKey is AZURFLDYNXTACG-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11(21-3)10-22(19,20)16-12(2)15(18)17-9-8-13-6-4-5-7-14(13)17/h4-7,11-12,16H,8-10H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide?
(2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-methoxypropane-1-sulfonamide is sourced from PubChem (CID 100717934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).