2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide

C13H18N2O3S — CID 103307769

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide
SMILESCC(C)S(=O)(=O)NC(=O)CC1CNc2ccccc21
InChIInChI=1S/C13H18N2O3S/c1-9(2)19(17,18)15-13(16)7-10-8-14-12-6-4-3-5-11(10)12/h3-6,9-10,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyUNIABCUVMKXLBU-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.44
Rot. Bonds4

About 2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide

2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide (PubChem CID 103307769) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide
PubChem CID103307769
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide
SMILESCC(C)S(=O)(=O)NC(=O)CC1CNc2ccccc21
InChIInChI=1S/C13H18N2O3S/c1-9(2)19(17,18)15-13(16)7-10-8-14-12-6-4-3-5-11(10)12/h3-6,9-10,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyUNIABCUVMKXLBU-UHFFFAOYSA-N
XLogP1.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 80573232
N-(1-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573060
N-(1-cyclopentylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573407
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103927350
N-(1-cyclohexylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80572825
N-(1-cyclopropylpropan-2-yl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573557
(2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 80572442
4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 80573426
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80751144
2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide
CID 80573792
methyl (2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanoate
CID 80572159

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide (CID 103307769) is 2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide is CC(C)S(=O)(=O)NC(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide?
The InChIKey is UNIABCUVMKXLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9(2)19(17,18)15-13(16)7-10-8-14-12-6-4-3-5-11(10)12/h3-6,9-10,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide has a molecular weight of 282.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 103307769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).