N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide

C21H27ClN2O5S — CID 27830039

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1
InChIInChI=1S/C21H27ClN2O5S/c1-5-24(6-2)30(26,27)16-10-7-15(8-11-16)9-12-21(25)23-18-14-19(28-3)17(22)13-20(18)29-4/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3,(H,23,25)
InChIKeyHGZZMUUKKDYAHF-UHFFFAOYSA-N
MW454.98 g/mol
LogP3.96
Rot. Bonds10

About N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide

N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 27830039) has the molecular formula C21H27ClN2O5S and a molecular weight of 454.98 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID27830039
Molecular FormulaC21H27ClN2O5S
Molecular Weight454.98 g/mol
Exact Mass454.13
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1
InChIInChI=1S/C21H27ClN2O5S/c1-5-24(6-2)30(26,27)16-10-7-15(8-11-16)9-12-21(25)23-18-14-19(28-3)17(22)13-20(18)29-4/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3,(H,23,25)
InChIKeyHGZZMUUKKDYAHF-UHFFFAOYSA-N
XLogP3.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 42059780
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 19237299
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide
CID 55395819
3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 17423969
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide
CID 35425039
3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 60575015
N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2202394
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide
CID 30127373
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-propylphenoxy)acetamide
CID 19180421
3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 17225707

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide (CID 27830039) is N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is HGZZMUUKKDYAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O5S/c1-5-24(6-2)30(26,27)16-10-7-15(8-11-16)9-12-21(25)23-18-14-19(28-3)17(22)13-20(18)29-4/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3,(H,23,25).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 454.98 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 27830039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).