3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide

C19H22N2O4S — CID 97060754

IUPAC3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NC[C@]2(O)CCc3ccccc32)c1
InChIInChI=1S/C19H22N2O4S/c1-21(2)26(24,25)16-8-5-7-15(12-16)18(22)20-13-19(23)11-10-14-6-3-4-9-17(14)19/h3-9,12,23H,10-11,13H2,1-2H3,(H,20,22)/t19-/m1/s1
InChIKeyMUBJHYFVNKFFBG-LJQANCHMSA-N
MW374.46 g/mol
LogP1.50
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide

3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide (PubChem CID 97060754) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
PubChem CID97060754
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NC[C@]2(O)CCc3ccccc32)c1
InChIInChI=1S/C19H22N2O4S/c1-21(2)26(24,25)16-8-5-7-15(12-16)18(22)20-13-19(23)11-10-14-6-3-4-9-17(14)19/h3-9,12,23H,10-11,13H2,1-2H3,(H,20,22)/t19-/m1/s1
InChIKeyMUBJHYFVNKFFBG-LJQANCHMSA-N
XLogP1.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 71782130
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95983115
3-acetyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide
CID 90499105
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]benzamide
CID 55483864
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide
CID 126769462
N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 136522417
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
CID 90499012
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 95983066

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide (CID 97060754) is 3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@]2(O)CCc3ccccc32)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
The InChIKey is MUBJHYFVNKFFBG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-21(2)26(24,25)16-8-5-7-15(12-16)18(22)20-13-19(23)11-10-14-6-3-4-9-17(14)19/h3-9,12,23H,10-11,13H2,1-2H3,(H,20,22)/t19-/m1/s1.
What are the key properties of 3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide has a molecular weight of 374.46 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide is sourced from PubChem (CID 97060754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).