2-methoxy-N-(4-methylsulfonylphenyl)propanamide

C11H15NO4S — CID 47300837

IUPAC2-methoxy-N-(4-methylsulfonylphenyl)propanamide
SMILESCOC(C)C(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H15NO4S/c1-8(16-2)11(13)12-9-4-6-10(7-5-9)17(3,14)15/h4-8H,1-3H3,(H,12,13)
InChIKeyBHNMHABRPVMBEK-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.06
Rot. Bonds4

About 2-methoxy-N-(4-methylsulfonylphenyl)propanamide

2-methoxy-N-(4-methylsulfonylphenyl)propanamide (PubChem CID 47300837) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methoxy-N-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methylsulfonylphenyl)propanamide
PubChem CID47300837
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-methoxy-N-(4-methylsulfonylphenyl)propanamide
SMILESCOC(C)C(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H15NO4S/c1-8(16-2)11(13)12-9-4-6-10(7-5-9)17(3,14)15/h4-8H,1-3H3,(H,12,13)
InChIKeyBHNMHABRPVMBEK-UHFFFAOYSA-N
XLogP1.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethylsulfonyl)phenyl]-2-methoxypropanamide
CID 47301190
2-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 51331498
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 7744756
N-[4-(carbamoylamino)phenyl]-2-methoxypropanamide
CID 47311851
(2S,3S)-2-amino-3-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148897
2-methoxy-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 47307987
[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514558
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
3-(2-methoxypropanoylamino)-5-methylsulfonylbenzoic acid
CID 119257754
(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-2-methoxypropanamide
CID 124730678
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 8979150
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of 2-methoxy-N-(4-methylsulfonylphenyl)propanamide (CID 47300837) is 2-methoxy-N-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-methoxy-N-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for 2-methoxy-N-(4-methylsulfonylphenyl)propanamide is COC(C)C(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-methoxy-N-(4-methylsulfonylphenyl)propanamide?
The InChIKey is BHNMHABRPVMBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-8(16-2)11(13)12-9-4-6-10(7-5-9)17(3,14)15/h4-8H,1-3H3,(H,12,13).
What are the key properties of 2-methoxy-N-(4-methylsulfonylphenyl)propanamide?
2-methoxy-N-(4-methylsulfonylphenyl)propanamide has a molecular weight of 257.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 47300837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).