4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide

C20H23NO4S — CID 126447960

IUPAC4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(C(=O)NCC[C@@H]3CCOC3)cc2)cc1
InChIInChI=1S/C20H23NO4S/c1-26(23,24)19-8-6-17(7-9-19)16-2-4-18(5-3-16)20(22)21-12-10-15-11-13-25-14-15/h2-9,15H,10-14H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyALGKAFNYMDTKOP-OAHLLOKOSA-N
MW373.47 g/mol
LogP2.91
Rot. Bonds6

About 4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide

4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide (PubChem CID 126447960) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
PubChem CID126447960
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(C(=O)NCC[C@@H]3CCOC3)cc2)cc1
InChIInChI=1S/C20H23NO4S/c1-26(23,24)19-8-6-17(7-9-19)16-2-4-18(5-3-16)20(22)21-12-10-15-11-13-25-14-15/h2-9,15H,10-14H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyALGKAFNYMDTKOP-OAHLLOKOSA-N
XLogP2.91
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121494536
N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121494638
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 125164487
4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121497411
4-(1-oxo-2H-isoquinolin-7-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 126432243
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088
3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415100
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
CID 125438742
3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 125174087
1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
CID 125442573

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide?
The IUPAC name of 4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide (CID 126447960) is 4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide is CS(=O)(=O)c1ccc(-c2ccc(C(=O)NCC[C@@H]3CCOC3)cc2)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide?
The InChIKey is ALGKAFNYMDTKOP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-26(23,24)19-8-6-17(7-9-19)16-2-4-18(5-3-16)20(22)21-12-10-15-11-13-25-14-15/h2-9,15H,10-14H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide?
4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide has a molecular weight of 373.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide is sourced from PubChem (CID 126447960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).