N-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C20H22N2O6S — CID 1332587

IUPACN-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H22N2O6S/c1-14(23)15-4-3-5-17(12-15)21-20(24)16-6-7-18(27-2)19(13-16)29(25,26)22-8-10-28-11-9-22/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyFCZJTITVLKRTIM-UHFFFAOYSA-N
MW418.47 g/mol
LogP2.17
Rot. Bonds6

About N-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1332587) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1332587
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC NameN-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H22N2O6S/c1-14(23)15-4-3-5-17(12-15)21-20(24)16-6-7-18(27-2)19(13-16)29(25,26)22-8-10-28-11-9-22/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyFCZJTITVLKRTIM-UHFFFAOYSA-N
XLogP2.17
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

PG-116800
CID 9848869
2-({3-[(Diethylamino)sulfonyl]-4-methoxybenzoyl}amino)benzoic acid
CID 1521222
4-{[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]amino}benzenesulfonamide
CID 2248175
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
Ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
CID 2513657
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 4522036
4-(4-acetylphenoxy)-N-[3-(azepan-1-ylsulfonyl)phenyl]butanamide
CID 4803938
2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4839884
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 1277944
4-(diethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2926629
4-fluoro-N-(3-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 26914637
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 1332587) is N-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is FCZJTITVLKRTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-14(23)15-4-3-5-17(12-15)21-20(24)16-6-7-18(27-2)19(13-16)29(25,26)22-8-10-28-11-9-22/h3-7,12-13H,8-11H2,1-2H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 418.47 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1332587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).