N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide

C17H19NO5S — CID 3245482

IUPACN-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H19NO5S/c1-22-14-5-3-13(4-6-14)18-17(19)11-12-24(20,21)16-9-7-15(23-2)8-10-16/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyKWLBGPKFKOCMAC-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.51
Rot. Bonds7

About N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide

N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 3245482) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID3245482
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H19NO5S/c1-22-14-5-3-13(4-6-14)18-17(19)11-12-24(20,21)16-9-7-15(23-2)8-10-16/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyKWLBGPKFKOCMAC-UHFFFAOYSA-N
XLogP2.51
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-Methoxy-phenylsulfanyl)-phenyl]-butyramide
CID 15453821
N-hydroxy-4-(4-(4-oxo-4-(4-(trifluoromethoxy)phenylamino)butoxy)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 20620714
N-hydroxy-4-(4-(4-(4-methoxyphenylamino)-4-oxobutoxy)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 54583712
Acetamide, N-[5-[(2-hydroxyethyl)sulfonyl]-2-methoxyphenyl]-
CID 13651552
2-[(2-aminophenyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 972877
2-[(3-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1483400
2-[(4-fluorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486369
2-[(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1486373
2-[(2-chlorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486374
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 2089406
[2-(4-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2380163
2-(benzylthio)-N-(4-methoxyphenyl)propanamide
CID 2889957

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (CID 3245482) is N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is COc1ccc(NC(=O)CCS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is KWLBGPKFKOCMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-22-14-5-3-13(4-6-14)18-17(19)11-12-24(20,21)16-9-7-15(23-2)8-10-16/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide has a molecular weight of 349.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 3245482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).