N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide

C17H19ClN2O4S — CID 113144532

IUPACN-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccccc1N(CCC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O4S/c1-24-16-9-4-3-8-15(16)20(25(2,22)23)11-10-17(21)19-14-7-5-6-13(18)12-14/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyUJLUCEWGFVRIAG-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.14
Rot. Bonds7

About N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide

N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 113144532) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID113144532
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccccc1N(CCC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O4S/c1-24-16-9-4-3-8-15(16)20(25(2,22)23)11-10-17(21)19-14-7-5-6-13(18)12-14/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyUJLUCEWGFVRIAG-UHFFFAOYSA-N
XLogP3.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 113144539
N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144536
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144974
N-(3-chlorophenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126031125
N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288261
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812
3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144822
N-(4-chlorophenyl)-3-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 113144991
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144145
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113143839
N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144500
ethyl 2-chloro-4-[4-(2-methoxy-N-methylsulfonylanilino)butanoylamino]benzoate
CID 100769151

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide (CID 113144532) is N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide is COc1ccccc1N(CCC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is UJLUCEWGFVRIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-24-16-9-4-3-8-15(16)20(25(2,22)23)11-10-17(21)19-14-7-5-6-13(18)12-14/h3-9,12H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide?
N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 382.87 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113144532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).