N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide

C20H26N2O6S — CID 43872765

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O6S/c1-5-28-16-7-9-17(10-8-16)29(24,25)22-14(2)20(23)21-13-15-6-11-18(26-3)19(12-15)27-4/h6-12,14,22H,5,13H2,1-4H3,(H,21,23)
InChIKeyQABTVCWLOPEEQI-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.09
Rot. Bonds10

About N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 43872765) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID43872765
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H26N2O6S/c1-5-28-16-7-9-17(10-8-16)29(24,25)22-14(2)20(23)21-13-15-6-11-18(26-3)19(12-15)27-4/h6-12,14,22H,5,13H2,1-4H3,(H,21,23)
InChIKeyQABTVCWLOPEEQI-UHFFFAOYSA-N
XLogP2.09
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 27647424
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 43872766
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 126397145
(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 28561746
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 92677922
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide
CID 55939954
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 24625428
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 43834722
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9208122
2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108575198
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261269
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 55938698

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide (CID 43872765) is N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)NC(C)C(=O)NCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is QABTVCWLOPEEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-5-28-16-7-9-17(10-8-16)29(24,25)22-14(2)20(23)21-13-15-6-11-18(26-3)19(12-15)27-4/h6-12,14,22H,5,13H2,1-4H3,(H,21,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 422.50 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 43872765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).