3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide

C19H24N2O5S — CID 113144486

IUPAC3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCN(c2ccccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O5S/c1-25-16-10-8-15(9-11-16)14-20-19(22)12-13-21(27(3,23)24)17-6-4-5-7-18(17)26-2/h4-11H,12-14H2,1-3H3,(H,20,22)
InChIKeyOISLALOOZLVZFT-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.18
Rot. Bonds9

About 3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide

3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 113144486) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID113144486
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCN(c2ccccc2OC)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O5S/c1-25-16-10-8-15(9-11-16)14-20-19(22)12-13-21(27(3,23)24)17-6-4-5-7-18(17)26-2/h4-11H,12-14H2,1-3H3,(H,20,22)
InChIKeyOISLALOOZLVZFT-UHFFFAOYSA-N
XLogP2.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)butanamide
CID 53288641
2-(2-methoxy-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 46772898
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113144502
N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144500
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 113144539
N-[(3-ethoxyphenyl)methyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288365
N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1102401
3-(N-methylsulfonyl-2-propan-2-yloxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113145026
4-(2-methoxy-N-methylsulfonylanilino)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 100689993
2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113173139
N-benzyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 998776
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3470704

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide (CID 113144486) is 3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCN(c2ccccc2OC)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is OISLALOOZLVZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-25-16-10-8-15(9-11-16)14-20-19(22)12-13-21(27(3,23)24)17-6-4-5-7-18(17)26-2/h4-11H,12-14H2,1-3H3,(H,20,22).
What are the key properties of 3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide?
3-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 392.48 g/mol, XLogP of 2.18, 9 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-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 113144486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).