3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide

C18H21FN2O4S — CID 27514876

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O4S/c1-2-25-15-7-9-16(10-8-15)26(23,24)21-12-11-18(22)20-13-14-5-3-4-6-17(14)19/h3-10,21H,2,11-13H2,1H3,(H,20,22)
InChIKeyWPGAVSXNDQCMHA-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.21
Rot. Bonds9

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 27514876) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID27514876
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O4S/c1-2-25-15-7-9-16(10-8-15)26(23,24)21-12-11-18(22)20-13-14-5-3-4-6-17(14)19/h3-10,21H,2,11-13H2,1H3,(H,20,22)
InChIKeyWPGAVSXNDQCMHA-UHFFFAOYSA-N
XLogP2.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-tert-butylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 24536886
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 119408093
N-[2-(2,6-dimethylphenoxy)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55724577
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8643100
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 51214621
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(3-fluorophenoxy)ethyl]propanamide
CID 46461279
3-[[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]methyl]benzamide
CID 32636101
N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26694786
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43001637
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55805473

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide (CID 27514876) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is WPGAVSXNDQCMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-2-25-15-7-9-16(10-8-15)26(23,24)21-12-11-18(22)20-13-14-5-3-4-6-17(14)19/h3-10,21H,2,11-13H2,1H3,(H,20,22).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 380.44 g/mol, XLogP of 2.21, 9 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-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 27514876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).