4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide

C17H19FN2O4S2 — CID 75417123

IUPAC4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)s1
InChIInChI=1S/C17H19FN2O4S2/c18-13-3-1-2-12(10-13)17(6-8-24-9-7-17)16(21)20-11-14-4-5-15(25-14)26(19,22)23/h1-5,10H,6-9,11H2,(H,20,21)(H2,19,22,23)
InChIKeyFYDKWKZWKMJJBU-UHFFFAOYSA-N
MW398.48 g/mol
LogP1.90
Rot. Bonds5

About 4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide

4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide (PubChem CID 75417123) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide
PubChem CID75417123
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC Name4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)s1
InChIInChI=1S/C17H19FN2O4S2/c18-13-3-1-2-12(10-13)17(6-8-24-9-7-17)16(21)20-11-14-4-5-15(25-14)26(19,22)23/h1-5,10H,6-9,11H2,(H,20,21)(H2,19,22,23)
InChIKeyFYDKWKZWKMJJBU-UHFFFAOYSA-N
XLogP1.90
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide
CID 138997352
4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
CID 46977998
2,3-difluoro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 62662253
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46977992
4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide
CID 56807132
4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide
CID 92610503
N-[(5-sulfamoylthiophen-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24574708
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 55900607
N-(2-amino-2-ethylbutyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 119639919
N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide
CID 127266166
4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 110001666
4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide
CID 92612290

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide (CID 75417123) is 4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)s1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide?
The InChIKey is FYDKWKZWKMJJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c18-13-3-1-2-12(10-13)17(6-8-24-9-7-17)16(21)20-11-14-4-5-15(25-14)26(19,22)23/h1-5,10H,6-9,11H2,(H,20,21)(H2,19,22,23).
What are the key properties of 4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide?
4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 75417123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).