3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

C20H22F2N2O4S — CID 46686125

IUPAC3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H22F2N2O4S/c1-14-2-5-16(13-19(14)29(26,27)24-8-10-28-11-9-24)23-20(25)7-4-15-3-6-17(21)18(22)12-15/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,23,25)
InChIKeyMDIBFRUORLORCZ-UHFFFAOYSA-N
MW424.47 g/mol
LogP2.87
Rot. Bonds6

About 3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 46686125) has the molecular formula C20H22F2N2O4S and a molecular weight of 424.47 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID46686125
Molecular FormulaC20H22F2N2O4S
Molecular Weight424.47 g/mol
Exact Mass424.13
IUPAC Name3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H22F2N2O4S/c1-14-2-5-16(13-19(14)29(26,27)24-8-10-28-11-9-24)23-20(25)7-4-15-3-6-17(21)18(22)12-15/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,23,25)
InChIKeyMDIBFRUORLORCZ-UHFFFAOYSA-N
XLogP2.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 29436303
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16523782
3-(benzenesulfonyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4966347
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16591698
5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide
CID 24620415
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55909628
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
2-(4-aminophenyl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119678981
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119265798

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide (CID 46686125) is 3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide is Cc1ccc(NC(=O)CCc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is MDIBFRUORLORCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4S/c1-14-2-5-16(13-19(14)29(26,27)24-8-10-28-11-9-24)23-20(25)7-4-15-3-6-17(21)18(22)12-15/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,23,25).
What are the key properties of 3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide?
3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 424.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 46686125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).