N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide

C21H26ClN3O5S — CID 30127373

IUPACN'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C21H26ClN3O5S/c1-4-25(5-2)31(28,29)17-9-6-15(7-10-17)12-13-23-20(26)21(27)24-18-14-16(22)8-11-19(18)30-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyRKCYPWFMAKIYND-UHFFFAOYSA-N
MW467.98 g/mol
LogP2.68
Rot. Bonds9

About N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide

N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide (PubChem CID 30127373) has the molecular formula C21H26ClN3O5S and a molecular weight of 467.98 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide
PubChem CID30127373
Molecular FormulaC21H26ClN3O5S
Molecular Weight467.98 g/mol
Exact Mass467.13
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C21H26ClN3O5S/c1-4-25(5-2)31(28,29)17-9-6-15(7-10-17)12-13-23-20(26)21(27)24-18-14-16(22)8-11-19(18)30-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyRKCYPWFMAKIYND-UHFFFAOYSA-N
XLogP2.68
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(5-chloro-2-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502150
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide
CID 55395819
1-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(2-phenylethyl)thiourea
CID 7939337
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 30127290
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 27245718
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 30126544
N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 44902655
2-(2,5-dichloroanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24510593
N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27830039
N-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 42059780
3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 19237299
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]urea
CID 108875470

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide (CID 30127373) is N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide is CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide?
The InChIKey is RKCYPWFMAKIYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O5S/c1-4-25(5-2)31(28,29)17-9-6-15(7-10-17)12-13-23-20(26)21(27)24-18-14-16(22)8-11-19(18)30-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide?
N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide has a molecular weight of 467.98 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide is sourced from PubChem (CID 30127373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).