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

C18H20N2O3S — CID 134053339

IUPACN-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(NS(C)(=O)=O)c1)C1CCc2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-20(17-11-10-13-6-3-4-9-16(13)17)18(21)14-7-5-8-15(12-14)19-24(2,22)23/h3-9,12,17,19H,10-11H2,1-2H3
InChIKeyPQDAFUOUXNLJAQ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.82
Rot. Bonds4

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

N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide (PubChem CID 134053339) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide
PubChem CID134053339
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(NS(C)(=O)=O)c1)C1CCc2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-20(17-11-10-13-6-3-4-9-16(13)17)18(21)14-7-5-8-15(12-14)19-24(2,22)23/h3-9,12,17,19H,10-11H2,1-2H3
InChIKeyPQDAFUOUXNLJAQ-UHFFFAOYSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 55533364
3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43578962
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide
CID 25493349
N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46589652
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 25359632
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 81295054
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
CID 144743792
N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide
CID 42951669
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylpropanamide
CID 47175434
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide (CID 134053339) is N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide is CN(C(=O)c1cccc(NS(C)(=O)=O)c1)C1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is PQDAFUOUXNLJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-20(17-11-10-13-6-3-4-9-16(13)17)18(21)14-7-5-8-15(12-14)19-24(2,22)23/h3-9,12,17,19H,10-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide?
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide has a molecular weight of 344.44 g/mol, XLogP of 2.82, 4 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-methylbenzamide is sourced from PubChem (CID 134053339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).