N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide

C20H24N2O4S — CID 7759072

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15(2)16-6-8-17(9-7-16)20(23)21-18-4-3-5-19(14-18)27(24,25)22-10-12-26-13-11-22/h3-9,14-15H,10-13H2,1-2H3,(H,21,23)
InChIKeyGTDCJFXSTSQXIZ-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.08
Rot. Bonds5

About N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide

N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide (PubChem CID 7759072) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
PubChem CID7759072
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-15(2)16-6-8-17(9-7-16)20(23)21-18-4-3-5-19(14-18)27(24,25)22-10-12-26-13-11-22/h3-9,14-15H,10-13H2,1-2H3,(H,21,23)
InChIKeyGTDCJFXSTSQXIZ-UHFFFAOYSA-N
XLogP3.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide
CID 7759035
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26590050
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
3-(2-methylpropoxy)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7589569
N-[3-methyl-1-(3-morpholin-4-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 4852294
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3368356
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 35018899
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide (CID 7759072) is N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide?
The InChIKey is GTDCJFXSTSQXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15(2)16-6-8-17(9-7-16)20(23)21-18-4-3-5-19(14-18)27(24,25)22-10-12-26-13-11-22/h3-9,14-15H,10-13H2,1-2H3,(H,21,23).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide?
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 7759072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).