3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide

C18H21FN2O4S — CID 26717747

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C)ccc2F)cc1
InChIInChI=1S/C18H21FN2O4S/c1-3-25-14-5-7-15(8-6-14)26(23,24)20-11-10-18(22)21-17-12-13(2)4-9-16(17)19/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyKBUQFKQRZXRNQW-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.84
Rot. Bonds8

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide (PubChem CID 26717747) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide
PubChem CID26717747
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C)ccc2F)cc1
InChIInChI=1S/C18H21FN2O4S/c1-3-25-14-5-7-15(8-6-14)26(23,24)20-11-10-18(22)21-17-12-13(2)4-9-16(17)19/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyKBUQFKQRZXRNQW-UHFFFAOYSA-N
XLogP2.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26800125
N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26694786
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
N-(2,3-dimethylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26538586
3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-5-hydroxyphenyl)propanamide
CID 71912169
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 46619039
3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide
CID 26687643
N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55707974
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 24540770
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 27621342

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide (CID 26717747) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(C)ccc2F)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide?
The InChIKey is KBUQFKQRZXRNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-3-25-14-5-7-15(8-6-14)26(23,24)20-11-10-18(22)21-17-12-13(2)4-9-16(17)19/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide has a molecular weight of 380.44 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide is sourced from PubChem (CID 26717747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).