N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide

C21H27NO5S — CID 51956574

IUPACN-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C21H27NO5S/c1-6-11-28(24,25)20-10-8-7-9-16(20)21(23)22-15(3)17-13-19(27-5)18(26-4)12-14(17)2/h7-10,12-13,15H,6,11H2,1-5H3,(H,22,23)/t15-/m1/s1
InChIKeyAPJSITAFSDXQRN-OAHLLOKOSA-N
MW405.52 g/mol
LogP3.69
Rot. Bonds8

About N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide

N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide (PubChem CID 51956574) has the molecular formula C21H27NO5S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide
PubChem CID51956574
Molecular FormulaC21H27NO5S
Molecular Weight405.52 g/mol
Exact Mass405.16
IUPAC NameN-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C21H27NO5S/c1-6-11-28(24,25)20-10-8-7-9-16(20)21(23)22-15(3)17-13-19(27-5)18(26-4)12-14(17)2/h7-10,12-13,15H,6,11H2,1-5H3,(H,22,23)/t15-/m1/s1
InChIKeyAPJSITAFSDXQRN-OAHLLOKOSA-N
XLogP3.69
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212488
N-butan-2-yl-2-propylsulfonylbenzamide
CID 17224858
N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78878408
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide
CID 94799638
2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide
CID 1220452
2-[(2-propylsulfonylbenzoyl)amino]butanoic acid
CID 119224038
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 133186606
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 30402642
6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184993

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide?
The IUPAC name of N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide (CID 51956574) is N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide.
What is the SMILES notation for N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide?
The canonical SMILES for N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cc(OC)c(OC)cc1C.
What is the InChIKey of N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide?
The InChIKey is APJSITAFSDXQRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27NO5S/c1-6-11-28(24,25)20-10-8-7-9-16(20)21(23)22-15(3)17-13-19(27-5)18(26-4)12-14(17)2/h7-10,12-13,15H,6,11H2,1-5H3,(H,22,23)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide?
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide has a molecular weight of 405.52 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide is sourced from PubChem (CID 51956574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).