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

C19H20N2O5S — CID 1081959

IUPACN-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H20N2O5S/c1-14(22)15-5-7-17(8-6-15)20-19(23)16-3-2-4-18(13-16)27(24,25)21-9-11-26-12-10-21/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyLRGIDDRCVFODKX-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.16
Rot. Bonds5

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

N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1081959) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1081959
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C19H20N2O5S/c1-14(22)15-5-7-17(8-6-15)20-19(23)16-3-2-4-18(13-16)27(24,25)21-9-11-26-12-10-21/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyLRGIDDRCVFODKX-UHFFFAOYSA-N
XLogP2.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2665791
propyl 4-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 18209204
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113
N-[4-(2-cyanopropan-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30857520
N-(4-acetylphenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40790972
N-(4-acetylphenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853441
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2331780
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1081959) is N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide is CC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is LRGIDDRCVFODKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-14(22)15-5-7-17(8-6-15)20-19(23)16-3-2-4-18(13-16)27(24,25)21-9-11-26-12-10-21/h2-8,13H,9-12H2,1H3,(H,20,23).
What are the key properties of N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 388.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1081959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).