N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

C17H18F2N2O4S — CID 26694786

IUPACN-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H18F2N2O4S/c1-2-25-13-4-6-14(7-5-13)26(23,24)20-10-9-17(22)21-12-3-8-15(18)16(19)11-12/h3-8,11,20H,2,9-10H2,1H3,(H,21,22)
InChIKeyLRNSMOSXRRGJQG-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.67
Rot. Bonds8

About N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 26694786) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID26694786
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC NameN-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H18F2N2O4S/c1-2-25-13-4-6-14(7-5-13)26(23,24)20-10-9-17(22)21-12-3-8-15(18)16(19)11-12/h3-8,11,20H,2,9-10H2,1H3,(H,21,22)
InChIKeyLRNSMOSXRRGJQG-UHFFFAOYSA-N
XLogP2.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide
CID 71912169
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide
CID 26717747
N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9410697
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 27621342
N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26800125
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 26560503
(2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 28549425
N-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144923
N-(3,4-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613478
[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 46619042
N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55707974
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (CID 26694786) is N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is LRNSMOSXRRGJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-2-25-13-4-6-14(7-5-13)26(23,24)20-10-9-17(22)21-12-3-8-15(18)16(19)11-12/h3-8,11,20H,2,9-10H2,1H3,(H,21,22).
What are the key properties of N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 384.40 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 26694786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).