5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide

C20H26N2O6S — CID 100553276

IUPAC5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
SMILESCCNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2OC)ccc1OC
InChIInChI=1S/C20H26N2O6S/c1-6-21-20(23)17-12-15(8-10-19(17)28-5)29(24,25)22-13(2)16-11-14(26-3)7-9-18(16)27-4/h7-13,22H,6H2,1-5H3,(H,21,23)/t13-/m1/s1
InChIKeyYUTJPLFITJAZKD-CYBMUJFWSA-N
MW422.50 g/mol
LogP2.50
Rot. Bonds9

About 5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide

5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide (PubChem CID 100553276) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is 5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
PubChem CID100553276
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
SMILESCCNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2OC)ccc1OC
InChIInChI=1S/C20H26N2O6S/c1-6-21-20(23)17-12-15(8-10-19(17)28-5)29(24,25)22-13(2)16-11-14(26-3)7-9-18(16)27-4/h7-13,22H,6H2,1-5H3,(H,21,23)/t13-/m1/s1
InChIKeyYUTJPLFITJAZKD-CYBMUJFWSA-N
XLogP2.50
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-methoxy-5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]benzamide
CID 94019786
5-[1-(2,5-dimethoxyphenyl)ethylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 133203803
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 133219385
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55606874
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide
CID 133220057
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 6464996
4-cyano-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 9190439
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 55681769

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide?
The IUPAC name of 5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide (CID 100553276) is 5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide.
What is the SMILES notation for 5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide?
The canonical SMILES for 5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide is CCNC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2OC)ccc1OC.
What is the InChIKey of 5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide?
The InChIKey is YUTJPLFITJAZKD-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-6-21-20(23)17-12-15(8-10-19(17)28-5)29(24,25)22-13(2)16-11-14(26-3)7-9-18(16)27-4/h7-13,22H,6H2,1-5H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide?
5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide has a molecular weight of 422.50 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide is sourced from PubChem (CID 100553276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).