2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide

C22H29ClN2O5S — CID 2969227

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C22H29ClN2O5S/c1-7-25(8-2)31(27,28)18-9-10-20(29-6)19(13-18)24-22(26)16(5)30-17-11-14(3)21(23)15(4)12-17/h9-13,16H,7-8H2,1-6H3,(H,24,26)
InChIKeyGAVKYLHHQWNSOJ-UHFFFAOYSA-N
MW469.00 g/mol
LogP4.40
Rot. Bonds9

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide (PubChem CID 2969227) has the molecular formula C22H29ClN2O5S and a molecular weight of 469.00 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
PubChem CID2969227
Molecular FormulaC22H29ClN2O5S
Molecular Weight469.00 g/mol
Exact Mass468.15
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C22H29ClN2O5S/c1-7-25(8-2)31(27,28)18-9-10-20(29-6)19(13-18)24-22(26)16(5)30-17-11-14(3)21(23)15(4)12-17/h9-13,16H,7-8H2,1-6H3,(H,24,26)
InChIKeyGAVKYLHHQWNSOJ-UHFFFAOYSA-N
XLogP4.40
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.00
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methoxyphenoxy)propanamide
CID 41477177
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)propanamide
CID 53266077
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 93488180
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide
CID 43000311
2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 3593320
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
CID 53266684
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 40768898
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180438
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
CID 21367757
2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide
CID 16552710
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 19203124
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 2793125

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide (CID 2969227) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)c1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
The InChIKey is GAVKYLHHQWNSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O5S/c1-7-25(8-2)31(27,28)18-9-10-20(29-6)19(13-18)24-22(26)16(5)30-17-11-14(3)21(23)15(4)12-17/h9-13,16H,7-8H2,1-6H3,(H,24,26).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide has a molecular weight of 469.00 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 2969227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).