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

C20H22N2O5S — CID 1081950

IUPACN-(4-acetylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H22N2O5S/c1-14-3-4-17(13-19(14)28(25,26)22-9-11-27-12-10-22)20(24)21-18-7-5-16(6-8-18)15(2)23/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyGRSBFSBWBORBFJ-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.47
Rot. Bonds5

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

N-(4-acetylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1081950) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1081950
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC NameN-(4-acetylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H22N2O5S/c1-14-3-4-17(13-19(14)28(25,26)22-9-11-27-12-10-22)20(24)21-18-7-5-16(6-8-18)15(2)23/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyGRSBFSBWBORBFJ-UHFFFAOYSA-N
XLogP2.47
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
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N-(3-acetylphenyl)-4-chloro-3-(morpholin-4-ylsulfonyl)benzamide
CID 1101763
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
4-methyl-3-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 4309860
4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 6461347
N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7586386
4-methyl-N-phenyl-3-(phenylsulfamoyl)benzamide
CID 1246311
3-(azepan-1-ylsulfonyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 1250097
N-[2-(azepan-1-ylcarbonyl)phenyl]-3-(morpholin-4-ylsulfonyl)benzamide
CID 3238418
3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 3240611

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-acetylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 1081950) is N-(4-acetylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-acetylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is CC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is GRSBFSBWBORBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-14-3-4-17(13-19(14)28(25,26)22-9-11-27-12-10-22)20(24)21-18-7-5-16(6-8-18)15(2)23/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-(4-acetylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 402.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1081950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).