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

C18H22N2O5S — CID 113144539

IUPAC3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN(c2ccccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O5S/c1-24-15-8-6-7-14(13-15)19-18(21)11-12-20(26(3,22)23)16-9-4-5-10-17(16)25-2/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyQTDWFJVIZZIWTF-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.50
Rot. Bonds8

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

3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide (PubChem CID 113144539) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
PubChem CID113144539
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN(c2ccccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O5S/c1-24-15-8-6-7-14(13-15)19-18(21)11-12-20(26(3,22)23)16-9-4-5-10-17(16)25-2/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyQTDWFJVIZZIWTF-UHFFFAOYSA-N
XLogP2.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144532
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144974
3-(2-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144822
N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 1100140
N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288261
N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141702
N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144536
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-methoxyphenyl)acetamide
CID 3271893
N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144500
3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113144486
N-(3-methoxyphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30259702
3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113144621

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide (CID 113144539) is 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCN(c2ccccc2OC)S(C)(=O)=O)c1.
What is the InChIKey of 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide?
The InChIKey is QTDWFJVIZZIWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-15-8-6-7-14(13-15)19-18(21)11-12-20(26(3,22)23)16-9-4-5-10-17(16)25-2/h4-10,13H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide?
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide has a molecular weight of 378.45 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 113144539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).