N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide

C14H20N2O3S — CID 47175434

IUPACN-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide
SMILESCN(C(=O)CCNS(C)(=O)=O)C1CCc2ccccc21
InChIInChI=1S/C14H20N2O3S/c1-16(14(17)9-10-15-20(2,18)19)13-8-7-11-5-3-4-6-12(11)13/h3-6,13,15H,7-10H2,1-2H3
InChIKeyNLCGYDDIZMNWGB-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.07
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide

N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide (PubChem CID 47175434) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide
PubChem CID47175434
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide
SMILESCN(C(=O)CCNS(C)(=O)=O)C1CCc2ccccc21
InChIInChI=1S/C14H20N2O3S/c1-16(14(17)9-10-15-20(2,18)19)13-8-7-11-5-3-4-6-12(11)13/h3-6,13,15H,7-10H2,1-2H3
InChIKeyNLCGYDDIZMNWGB-UHFFFAOYSA-N
XLogP1.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
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N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3,3-diphenylpropanamide
CID 42941217
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylhexanamide
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N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide
CID 52500328
3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
CID 60837017
4-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 79200379
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide
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N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide
CID 25493349
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide
CID 43579578
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide
CID 134053339
2-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide (CID 47175434) is N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide is CN(C(=O)CCNS(C)(=O)=O)C1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide?
The InChIKey is NLCGYDDIZMNWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-16(14(17)9-10-15-20(2,18)19)13-8-7-11-5-3-4-6-12(11)13/h3-6,13,15H,7-10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide?
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide has a molecular weight of 296.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide is sourced from PubChem (CID 47175434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).