3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide

C15H23F2N3O3S — CID 113147115

IUPAC3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCN(c1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C15H23F2N3O3S/c1-19(2)10-5-9-18-14(21)8-11-20(24(3,22)23)15-12(16)6-4-7-13(15)17/h4,6-7H,5,8-11H2,1-3H3,(H,18,21)
InChIKeyXGBRZOVBAVOSAT-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.19
Rot. Bonds9

About 3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide

3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 113147115) has the molecular formula C15H23F2N3O3S and a molecular weight of 363.43 g/mol. Its IUPAC name is 3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
PubChem CID113147115
Molecular FormulaC15H23F2N3O3S
Molecular Weight363.43 g/mol
Exact Mass363.14
IUPAC Name3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCN(c1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C15H23F2N3O3S/c1-19(2)10-5-9-18-14(21)8-11-20(24(3,22)23)15-12(16)6-4-7-13(15)17/h4,6-7H,5,8-11H2,1-3H3,(H,18,21)
InChIKeyXGBRZOVBAVOSAT-UHFFFAOYSA-N
XLogP1.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113147109
N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143138
3-(2,6-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146588
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide
CID 113072400
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113147134
3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017023
3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113146595
N-[3-(dimethylamino)propyl]-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 100727714
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113147158
N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147313
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113072438
N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110408284

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide (CID 113147115) is 3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)CCN(c1c(F)cccc1F)S(C)(=O)=O.
What is the InChIKey of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is XGBRZOVBAVOSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O3S/c1-19(2)10-5-9-18-14(21)8-11-20(24(3,22)23)15-12(16)6-4-7-13(15)17/h4,6-7H,5,8-11H2,1-3H3,(H,18,21).
What are the key properties of 3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide?
3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 363.43 g/mol, XLogP of 1.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 113147115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).