2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide

C16H23F2N3O4S — CID 132659439

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C(=O)NCCN1CCOCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H23F2N3O4S/c1-12(16(22)19-5-6-20-7-9-25-10-8-20)21(26(2,23)24)13-3-4-14(17)15(18)11-13/h3-4,11-12H,5-10H2,1-2H3,(H,19,22)
InChIKeyFNUZRHKLYPIHTC-UHFFFAOYSA-N
MW391.44 g/mol
LogP0.57
Rot. Bonds7

About 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide

2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 132659439) has the molecular formula C16H23F2N3O4S and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID132659439
Molecular FormulaC16H23F2N3O4S
Molecular Weight391.44 g/mol
Exact Mass391.14
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C(=O)NCCN1CCOCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H23F2N3O4S/c1-12(16(22)19-5-6-20-7-9-25-10-8-20)21(26(2,23)24)13-3-4-14(17)15(18)11-13/h3-4,11-12H,5-10H2,1-2H3,(H,19,22)
InChIKeyFNUZRHKLYPIHTC-UHFFFAOYSA-N
XLogP0.57
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 50944624
2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 6492936
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 92764440
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 132657785
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 133228169
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)butanamide
CID 132670674
2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 22275752
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 100646941
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 100554000
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 99132712
(2R)-N-(2-tert-butylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 99131928
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-pentan-3-ylpropanamide
CID 99132743

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide (CID 132659439) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide is CC(C(=O)NCCN1CCOCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is FNUZRHKLYPIHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O4S/c1-12(16(22)19-5-6-20-7-9-25-10-8-20)21(26(2,23)24)13-3-4-14(17)15(18)11-13/h3-4,11-12H,5-10H2,1-2H3,(H,19,22).
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 391.44 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 132659439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).