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

C18H19NO5S — CID 4112435

IUPACN-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H19NO5S/c1-13(20)14-4-3-5-15(12-14)19-18(21)10-11-25(22,23)17-8-6-16(24-2)7-9-17/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyNEBZCGXPZGOHJG-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.70
Rot. Bonds7

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

N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 4112435) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID4112435
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC NameN-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C18H19NO5S/c1-13(20)14-4-3-5-15(12-14)19-18(21)10-11-25(22,23)17-8-6-16(24-2)7-9-17/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyNEBZCGXPZGOHJG-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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Related Compounds

N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317
3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide
CID 4307145
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684
methyl 3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate
CID 110294957
[2-(3-acetylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7168714
N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 9225118
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55928378
N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324012
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4301032
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 26584175
N-(2-cyanophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41323836
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide
CID 46377654

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (CID 4112435) is N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is COc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is NEBZCGXPZGOHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-13(20)14-4-3-5-15(12-14)19-18(21)10-11-25(22,23)17-8-6-16(24-2)7-9-17/h3-9,12H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
N-(3-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-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 4112435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).