3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide

C22H30N2O4S — CID 47731816

IUPAC3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C22H30N2O4S/c1-5-28-21-9-7-6-8-19(21)12-15-22(25)23-16-18-10-13-20(14-11-18)29(26,27)24(4)17(2)3/h6-11,13-14,17H,5,12,15-16H2,1-4H3,(H,23,25)
InChIKeyXWQHMRFNGFZSBK-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.36
Rot. Bonds10

About 3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide

3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide (PubChem CID 47731816) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide
PubChem CID47731816
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C22H30N2O4S/c1-5-28-21-9-7-6-8-19(21)12-15-22(25)23-16-18-10-13-20(14-11-18)29(26,27)24(4)17(2)3/h6-11,13-14,17H,5,12,15-16H2,1-4H3,(H,23,25)
InChIKeyXWQHMRFNGFZSBK-UHFFFAOYSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide
CID 47731753
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029751
3-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 78805596
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide
CID 47732115
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 55846935
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]guanidine;hydroiodide
CID 111217668
2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
CID 119748877
N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide
CID 87011276
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 134049400
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide (CID 47731816) is 3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide is CCOc1ccccc1CCC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide?
The InChIKey is XWQHMRFNGFZSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-5-28-21-9-7-6-8-19(21)12-15-22(25)23-16-18-10-13-20(14-11-18)29(26,27)24(4)17(2)3/h6-11,13-14,17H,5,12,15-16H2,1-4H3,(H,23,25).
What are the key properties of 3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide?
3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide has a molecular weight of 418.56 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide is sourced from PubChem (CID 47731816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).