3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide

C18H22N2O4S — CID 113144621

IUPAC3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
SMILESCOc1cccc(N(CCC(=O)Nc2ccc(C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-14-7-9-15(10-8-14)19-18(21)11-12-20(25(3,22)23)16-5-4-6-17(13-16)24-2/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyBBEJVHFIUBFUTH-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.80
Rot. Bonds7

About 3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide

3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide (PubChem CID 113144621) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
PubChem CID113144621
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
SMILESCOc1cccc(N(CCC(=O)Nc2ccc(C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-14-7-9-15(10-8-14)19-18(21)11-12-20(25(3,22)23)16-5-4-6-17(13-16)24-2/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyBBEJVHFIUBFUTH-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113143839
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113142426
N-(2,3-dimethylphenyl)-3-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 113144630
3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 113144562
N-(3,4-dimethoxyphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141982
N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1098104
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070449
N-[4-(diethylsulfamoyl)phenyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126259402
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 113144539
N-(2,6-difluorophenyl)-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 100745930

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide (CID 113144621) is 3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide is COc1cccc(N(CCC(=O)Nc2ccc(C)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide?
The InChIKey is BBEJVHFIUBFUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14-7-9-15(10-8-14)19-18(21)11-12-20(25(3,22)23)16-5-4-6-17(13-16)24-2/h4-10,13H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide?
3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide has a molecular weight of 362.45 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 113144621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).