N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide

C20H22N2O5S — CID 8749628

IUPACN-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C20H22N2O5S/c1-14-7-8-16(28(25,26)22-9-11-27-12-10-22)13-18(14)20(24)21-19-6-4-3-5-17(19)15(2)23/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyVBHHHWBVPBJQHM-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.47
Rot. Bonds5

About N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide

N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 8749628) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID8749628
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC NameN-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C20H22N2O5S/c1-14-7-8-16(28(25,26)22-9-11-27-12-10-22)13-18(14)20(24)21-19-6-4-3-5-17(19)15(2)23/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyVBHHHWBVPBJQHM-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

2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 34584461
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 9398216
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55765937
methyl 4-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198226
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43882527
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287
N-[2-(butylcarbamoyl)phenyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
CID 28590712
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28590695

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 8749628) is N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide is CC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C.
What is the InChIKey of N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is VBHHHWBVPBJQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-14-7-8-16(28(25,26)22-9-11-27-12-10-22)13-18(14)20(24)21-19-6-4-3-5-17(19)15(2)23/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-(2-acetylphenyl)-2-methyl-5-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-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 8749628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).