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

C18H18ClNO5S — CID 110423650

IUPACN-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1Cl
InChIInChI=1S/C18H18ClNO5S/c1-12(21)13-3-5-14(6-4-13)20-18(22)9-10-26(23,24)15-7-8-17(25-2)16(19)11-15/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyNBOHXQBXUFUHLU-UHFFFAOYSA-N
MW395.86 g/mol
LogP3.35
Rot. Bonds7

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

N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide (PubChem CID 110423650) has the molecular formula C18H18ClNO5S and a molecular weight of 395.86 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide
PubChem CID110423650
Molecular FormulaC18H18ClNO5S
Molecular Weight395.86 g/mol
Exact Mass395.06
IUPAC NameN-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1Cl
InChIInChI=1S/C18H18ClNO5S/c1-12(21)13-3-5-14(6-4-13)20-18(22)9-10-26(23,24)15-7-8-17(25-2)16(19)11-15/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyNBOHXQBXUFUHLU-UHFFFAOYSA-N
XLogP3.35
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.86
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide
CID 110428569
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418654
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide
CID 110428380
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)propanamide
CID 110410741
3-(3,4-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide
CID 110620787
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343385
3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-4-methoxyphenyl)propanamide
CID 15997139
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 110626467
N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4112435

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide (CID 110423650) is N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide is COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)cc1Cl.
What is the InChIKey of N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is NBOHXQBXUFUHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5S/c1-12(21)13-3-5-14(6-4-13)20-18(22)9-10-26(23,24)15-7-8-17(25-2)16(19)11-15/h3-8,11H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide?
N-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)sulfonylpropanamide has a molecular weight of 395.86 g/mol, XLogP of 3.35, 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-(3-chloro-4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 110423650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).