3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide

C15H22F2N2O3S — CID 110674439

IUPAC3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)CS(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2O3S/c1-10(2)6-7-18-15(20)11(3)9-23(21,22)19-14-5-4-12(16)8-13(14)17/h4-5,8,10-11,19H,6-7,9H2,1-3H3,(H,18,20)
InChIKeyRGWWMFQQOZGQIN-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.50
Rot. Bonds8

About 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide

3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide (PubChem CID 110674439) has the molecular formula C15H22F2N2O3S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide
PubChem CID110674439
Molecular FormulaC15H22F2N2O3S
Molecular Weight348.42 g/mol
Exact Mass348.13
IUPAC Name3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)CS(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H22F2N2O3S/c1-10(2)6-7-18-15(20)11(3)9-23(21,22)19-14-5-4-12(16)8-13(14)17/h4-5,8,10-11,19H,6-7,9H2,1-3H3,(H,18,20)
InChIKeyRGWWMFQQOZGQIN-UHFFFAOYSA-N
XLogP2.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 110674432
N-(2,4-difluorophenyl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110426759
N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 64786303
2-(4-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113611
3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110631787
2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81184216
2-(5-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113491
N-(2,4-difluorophenyl)-2-methylpentanamide
CID 2904798
3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide
CID 110612014
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide
CID 110610179
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide (CID 110674439) is 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)CS(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide?
The InChIKey is RGWWMFQQOZGQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3S/c1-10(2)6-7-18-15(20)11(3)9-23(21,22)19-14-5-4-12(16)8-13(14)17/h4-5,8,10-11,19H,6-7,9H2,1-3H3,(H,18,20).
What are the key properties of 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide?
3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide has a molecular weight of 348.42 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 110674439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).