N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide

C23H29N3O4S — CID 25296805

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)N[C@@H]3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C23H29N3O4S/c1-25(2)31(28,29)26-15-13-20(14-16-26)30-19-10-7-18(8-11-19)23(27)24-22-12-9-17-5-3-4-6-21(17)22/h3-8,10-11,20,22H,9,12-16H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyOHKPOONLCITQOR-JOCHJYFZSA-N
MW443.57 g/mol
LogP2.75
Rot. Bonds6

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide (PubChem CID 25296805) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
PubChem CID25296805
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
SMILESCN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)N[C@@H]3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C23H29N3O4S/c1-25(2)31(28,29)26-15-13-20(14-16-26)30-19-10-7-18(8-11-19)23(27)24-22-12-9-17-5-3-4-6-21(17)22/h3-8,10-11,20,22H,9,12-16H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyOHKPOONLCITQOR-JOCHJYFZSA-N
XLogP2.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72916418
N-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72854361
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
CID 42473707
N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72867578
1-(dimethylsulfamoyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 93487580
N-(2,3-dihydro-1H-inden-1-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297408
N-(2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 17444395
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42924269
4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 45188260
4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4681400
4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 47126975
N-(2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)benzamide
CID 51281191

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide (CID 25296805) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide is CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)N[C@@H]3CCc4ccccc43)cc2)CC1.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
The InChIKey is OHKPOONLCITQOR-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-25(2)31(28,29)26-15-13-20(14-16-26)30-19-10-7-18(8-11-19)23(27)24-22-12-9-17-5-3-4-6-21(17)22/h3-8,10-11,20,22H,9,12-16H2,1-2H3,(H,24,27)/t22-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide has a molecular weight of 443.57 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 25296805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).