3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide

C20H24N2O4S — CID 9431656

IUPAC3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-6-8-17(9-7-16)27(24,25)15-10-20(23)21-18-4-2-3-5-19(18)22-11-13-26-14-12-22/h2-9H,10-15H2,1H3,(H,21,23)
InChIKeyBEBOHUNYMAUVCW-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.63
Rot. Bonds6

About 3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide

3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide (PubChem CID 9431656) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
PubChem CID9431656
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-6-8-17(9-7-16)27(24,25)15-10-20(23)21-18-4-2-3-5-19(18)22-11-13-26-14-12-22/h2-9H,10-15H2,1H3,(H,21,23)
InChIKeyBEBOHUNYMAUVCW-UHFFFAOYSA-N
XLogP2.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 25161687
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 26413933
4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide
CID 7922267
3-(4-chlorophenyl)sulfonyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 55361022
4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 17459754
N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4547649
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109037056
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide
CID 17446943
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 6461370
3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 26727449

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide (CID 9431656) is 3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide?
The InChIKey is BEBOHUNYMAUVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16-6-8-17(9-7-16)27(24,25)15-10-20(23)21-18-4-2-3-5-19(18)22-11-13-26-14-12-22/h2-9H,10-15H2,1H3,(H,21,23).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide?
3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 9431656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).