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

C18H19NO5S — CID 4301028

IUPACN-(4-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H19NO5S/c1-13(20)14-3-5-15(6-4-14)19-18(21)11-12-25(22,23)17-9-7-16(24-2)8-10-17/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyCZQXVUTZEKIVOQ-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.70
Rot. Bonds7

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

N-(4-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 4301028) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID4301028
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC NameN-(4-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H19NO5S/c1-13(20)14-3-5-15(6-4-14)19-18(21)11-12-25(22,23)17-9-7-16(24-2)8-10-17/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyCZQXVUTZEKIVOQ-UHFFFAOYSA-N
XLogP2.70
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (CID 4301028) is N-(4-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is CZQXVUTZEKIVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-13(20)14-3-5-15(6-4-14)19-18(21)11-12-25(22,23)17-9-7-16(24-2)8-10-17/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(4-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
N-(4-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide has a molecular weight of 361.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 4301028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).