3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide

C20H25ClN2O4S — CID 19237299

IUPAC3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2cccc(Cl)c2)c1
InChIInChI=1S/C20H25ClN2O4S/c1-4-23(5-2)28(25,26)17-10-11-19(27-3)18(14-17)22-20(24)12-9-15-7-6-8-16(21)13-15/h6-8,10-11,13-14H,4-5,9,12H2,1-3H3,(H,22,24)
InChIKeyACOPSVSTVKQJLA-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.95
Rot. Bonds9

About 3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide

3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide (PubChem CID 19237299) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
PubChem CID19237299
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2cccc(Cl)c2)c1
InChIInChI=1S/C20H25ClN2O4S/c1-4-23(5-2)28(25,26)17-10-11-19(27-3)18(14-17)22-20(24)12-9-15-7-6-8-16(21)13-15/h6-8,10-11,13-14H,4-5,9,12H2,1-3H3,(H,22,24)
InChIKeyACOPSVSTVKQJLA-UHFFFAOYSA-N
XLogP3.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
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
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 25387721
3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 17225707
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide
CID 55395819
2-(2,5-dichloroanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24510593
N-(5-chloro-2-methoxyphenyl)-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100658824
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide
CID 24643917
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide (CID 19237299) is 3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
The InChIKey is ACOPSVSTVKQJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-4-23(5-2)28(25,26)17-10-11-19(27-3)18(14-17)22-20(24)12-9-15-7-6-8-16(21)13-15/h6-8,10-11,13-14H,4-5,9,12H2,1-3H3,(H,22,24).
What are the key properties of 3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide?
3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide has a molecular weight of 424.95 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 19237299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).