3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide

C12H16F2N2O4S — CID 103211671

IUPAC3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide
SMILESCc1c(NC(=O)CCOCC(F)F)cccc1S(N)(=O)=O
InChIInChI=1S/C12H16F2N2O4S/c1-8-9(3-2-4-10(8)21(15,18)19)16-12(17)5-6-20-7-11(13)14/h2-4,11H,5-7H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyDHJGKQZEWHSKCS-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.25
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide

3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide (PubChem CID 103211671) has the molecular formula C12H16F2N2O4S and a molecular weight of 322.33 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide
PubChem CID103211671
Molecular FormulaC12H16F2N2O4S
Molecular Weight322.33 g/mol
Exact Mass322.08
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide
SMILESCc1c(NC(=O)CCOCC(F)F)cccc1S(N)(=O)=O
InChIInChI=1S/C12H16F2N2O4S/c1-8-9(3-2-4-10(8)21(15,18)19)16-12(17)5-6-20-7-11(13)14/h2-4,11H,5-7H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyDHJGKQZEWHSKCS-UHFFFAOYSA-N
XLogP1.25
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(2-methyl-3-sulfamoylanilino)-4-oxobutanoate
CID 61362191
N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 54863561
3-(2,2-difluoroethoxy)-N-(3-fluoro-4-sulfamoylphenyl)propanamide
CID 103208721
3-(2,2-difluoroethoxy)-N-(4-sulfamoylphenyl)propanamide
CID 103208726
3-(2,2-difluoroethoxy)-N-[2-[1-(methylamino)ethyl]phenyl]propanamide
CID 103206316
3-(2,2-difluoroethoxy)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 103208634
N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208640
N-(3-bromo-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 113230236
3-(2,2-difluoroethoxy)-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 103211679
(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
CID 61164806
2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 79196365
N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
CID 107697254

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide (CID 103211671) is 3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide is Cc1c(NC(=O)CCOCC(F)F)cccc1S(N)(=O)=O.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide?
The InChIKey is DHJGKQZEWHSKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O4S/c1-8-9(3-2-4-10(8)21(15,18)19)16-12(17)5-6-20-7-11(13)14/h2-4,11H,5-7H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide?
3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide has a molecular weight of 322.33 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 103211671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).