N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C21H26N2O4S — CID 2572944

IUPACN-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C21H26N2O4S/c1-16-3-9-20(17(2)15-16)22-21(24)10-6-18-4-7-19(8-5-18)28(25,26)23-11-13-27-14-12-23/h3-5,7-9,15H,6,10-14H2,1-2H3,(H,22,24)
InChIKeyVBCZHDPCGYLUAW-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.90
Rot. Bonds6

About N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 2572944) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID2572944
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C21H26N2O4S/c1-16-3-9-20(17(2)15-16)22-21(24)10-6-18-4-7-19(8-5-18)28(25,26)23-11-13-27-14-12-23/h3-5,7-9,15H,6,10-14H2,1-2H3,(H,22,24)
InChIKeyVBCZHDPCGYLUAW-UHFFFAOYSA-N
XLogP2.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
4-methyl-N-[2-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 1049836
(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069
(E)-N-(3-acetamidophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2489006
2-(2-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3519434
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
4-methyl-6-(morpholin-4-ylsulfonyl)quinolin-2(1H)-one
CID 16832102
4,8-dimethyl-6-(4-morpholinylsulfonyl)-2(1H)-quinolinone
CID 16832103
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 1071416

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 2572944) is N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is VBCZHDPCGYLUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-3-9-20(17(2)15-16)22-21(24)10-6-18-4-7-19(8-5-18)28(25,26)23-11-13-27-14-12-23/h3-5,7-9,15H,6,10-14H2,1-2H3,(H,22,24).
What are the key properties of N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 402.52 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 2572944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).