N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide

C18H19NO3S — CID 25493349

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide
SMILESCN(C(=O)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2ccccc21
InChIInChI=1S/C18H19NO3S/c1-19(17-12-9-13-5-3-4-6-16(13)17)18(20)14-7-10-15(11-8-14)23(2,21)22/h3-8,10-11,17H,9,12H2,1-2H3/t17-/m0/s1
InChIKeyJPILDOSANDXFSQ-KRWDZBQOSA-N
MW329.42 g/mol
LogP2.85
Rot. Bonds3

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide (PubChem CID 25493349) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide
PubChem CID25493349
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide
SMILESCN(C(=O)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2ccccc21
InChIInChI=1S/C18H19NO3S/c1-19(17-12-9-13-5-3-4-6-16(13)17)18(20)14-7-10-15(11-8-14)23(2,21)22/h3-8,10-11,17H,9,12H2,1-2H3/t17-/m0/s1
InChIKeyJPILDOSANDXFSQ-KRWDZBQOSA-N
XLogP2.85
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
4-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30875842
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide
CID 134053339
3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 55533364
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 81295054
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
3-(chloromethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43578962
5-bromo-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-3-carboxamide
CID 47159920
N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 42896930
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide
CID 43579578

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide (CID 25493349) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide is CN(C(=O)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2ccccc21.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide?
The InChIKey is JPILDOSANDXFSQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-19(17-12-9-13-5-3-4-6-16(13)17)18(20)14-7-10-15(11-8-14)23(2,21)22/h3-8,10-11,17H,9,12H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide has a molecular weight of 329.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide is sourced from PubChem (CID 25493349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).