N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide

C18H19NO4S — CID 8819779

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C18H19NO4S/c1-2-24(21,22)17-10-6-4-8-14(17)18(20)19-15-11-12-23-16-9-5-3-7-13(15)16/h3-10,15H,2,11-12H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyKWPOYQOBRJPVSY-OAHLLOKOSA-N
MW345.42 g/mol
LogP2.73
Rot. Bonds4

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide (PubChem CID 8819779) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide
PubChem CID8819779
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C18H19NO4S/c1-2-24(21,22)17-10-6-4-8-14(17)18(20)19-15-11-12-23-16-9-5-3-7-13(15)16/h3-10,15H,2,11-12H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyKWPOYQOBRJPVSY-OAHLLOKOSA-N
XLogP2.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 8777527
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
2-ethyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)benzamide
CID 126787171
N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 47049200
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
CID 62365066
4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46655099
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide
CID 18115177
5-(tert-butylsulfamoyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylbenzamide
CID 31284339
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
2-[3,4-dihydro-2H-chromen-4-ylcarbamoyl(propyl)amino]acetic acid
CID 62366625
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylbenzamide
CID 18193131

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide (CID 8819779) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide is CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide?
The InChIKey is KWPOYQOBRJPVSY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-2-24(21,22)17-10-6-4-8-14(17)18(20)19-15-11-12-23-16-9-5-3-7-13(15)16/h3-10,15H,2,11-12H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide has a molecular weight of 345.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-ethylsulfonylbenzamide is sourced from PubChem (CID 8819779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).