N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide

C18H22ClN3O3S — CID 51170623

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide
SMILESCN(CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H22ClN3O3S/c1-21(2)26(24,25)15-9-10-16(19)17(13-15)20-18(23)11-12-22(3)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,20,23)
InChIKeyGBRNPRWPNLEDSS-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.06
Rot. Bonds7

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide (PubChem CID 51170623) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide
PubChem CID51170623
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide
SMILESCN(CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H22ClN3O3S/c1-21(2)26(24,25)15-9-10-16(19)17(13-15)20-18(23)11-12-22(3)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,20,23)
InChIKeyGBRNPRWPNLEDSS-UHFFFAOYSA-N
XLogP3.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
CID 51654070
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide
CID 21339599
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4804966
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4072184
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium
CID 8867441
2-(4-benzyl-1,4-diazepan-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
CID 16618242
tert-butyl-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 8904455
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 4869977
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035389
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7654876
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide
CID 112769589
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 3985158

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide (CID 51170623) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide is CN(CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide?
The InChIKey is GBRNPRWPNLEDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-21(2)26(24,25)15-9-10-16(19)17(13-15)20-18(23)11-12-22(3)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,20,23).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide has a molecular weight of 395.91 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide is sourced from PubChem (CID 51170623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).