3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide

C20H24F2N2O3S — CID 60576277

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H24F2N2O3S/c1-4-24(5-2)28(26,27)17-10-6-15(7-11-17)8-13-20(25)23(3)16-9-12-18(21)19(22)14-16/h6-7,9-12,14H,4-5,8,13H2,1-3H3
InChIKeyZIDQEIAMBLZZID-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.59
Rot. Bonds8

About 3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide

3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide (PubChem CID 60576277) has the molecular formula C20H24F2N2O3S and a molecular weight of 410.49 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide
PubChem CID60576277
Molecular FormulaC20H24F2N2O3S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H24F2N2O3S/c1-4-24(5-2)28(26,27)17-10-6-15(7-11-17)8-13-20(25)23(3)16-9-12-18(21)19(22)14-16/h6-7,9-12,14H,4-5,8,13H2,1-3H3
InChIKeyZIDQEIAMBLZZID-UHFFFAOYSA-N
XLogP3.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide
CID 55903574
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 31337257
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879245
3-[4-(diethylsulfamoyl)phenyl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 29207331
N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557411
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 55403662
N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride
CID 119658419
N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 55592039
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 55403519
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide (CID 60576277) is 3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide?
The InChIKey is ZIDQEIAMBLZZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3S/c1-4-24(5-2)28(26,27)17-10-6-15(7-11-17)8-13-20(25)23(3)16-9-12-18(21)19(22)14-16/h6-7,9-12,14H,4-5,8,13H2,1-3H3.
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide has a molecular weight of 410.49 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 60576277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).