2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide

C19H23FN2O4S — CID 143299424

IUPAC2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide
SMILESCS(=O)(=O)Nc1ccc(CCCNC(=O)COCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O4S/c1-27(24,25)22-18-10-6-15(7-11-18)3-2-12-21-19(23)14-26-13-16-4-8-17(20)9-5-16/h4-11,22H,2-3,12-14H2,1H3,(H,21,23)
InChIKeyDVLPKQCBHJUBLA-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.46
Rot. Bonds10

About 2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide

2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide (PubChem CID 143299424) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide
PubChem CID143299424
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide
SMILESCS(=O)(=O)Nc1ccc(CCCNC(=O)COCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O4S/c1-27(24,25)22-18-10-6-15(7-11-18)3-2-12-21-19(23)14-26-13-16-4-8-17(20)9-5-16/h4-11,22H,2-3,12-14H2,1H3,(H,21,23)
InChIKeyDVLPKQCBHJUBLA-UHFFFAOYSA-N
XLogP2.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.46
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

2-(4-tert-butylphenoxy)-N-[(1R)-1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]acetamide
CID 24784699
N-[[4-(dimethylamino)phenyl]methyl]-2-phenylmethoxypropanamide
CID 42959380
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide
CID 71693245
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
CID 71693250
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide
CID 71693261
N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide
CID 71693580
N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]methanesulfonamide
CID 71693592
N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropane-1-sulfonamide
CID 71693614
CID 134787194
CID 134787194
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]methoxy]acetamide
CID 139260217
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]acetamide
CID 139260218
N-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide
CID 71693267

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide (CID 143299424) is 2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide is CS(=O)(=O)Nc1ccc(CCCNC(=O)COCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide?
The InChIKey is DVLPKQCBHJUBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-27(24,25)22-18-10-6-15(7-11-18)3-2-12-21-19(23)14-26-13-16-4-8-17(20)9-5-16/h4-11,22H,2-3,12-14H2,1H3,(H,21,23).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide?
2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide has a molecular weight of 394.47 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-[3-[4-(methanesulfonamido)phenyl]propyl]acetamide is sourced from PubChem (CID 143299424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).