N-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide

C18H18FN3O4S2 — CID 86879604

IUPACN-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCCc2coc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C18H18FN3O4S2/c1-12(23)20-10-16-6-7-17(27-16)28(24,25)21-9-8-15-11-26-18(22-15)13-2-4-14(19)5-3-13/h2-7,11,21H,8-10H2,1H3,(H,20,23)
InChIKeyYZXMRYXUHCUIOC-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.70
Rot. Bonds8

About N-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 86879604) has the molecular formula C18H18FN3O4S2 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID86879604
Molecular FormulaC18H18FN3O4S2
Molecular Weight423.49 g/mol
Exact Mass423.07
IUPAC NameN-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCCc2coc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C18H18FN3O4S2/c1-12(23)20-10-16-6-7-17(27-16)28(24,25)21-9-8-15-11-26-18(22-15)13-2-4-14(19)5-3-13/h2-7,11,21H,8-10H2,1H3,(H,20,23)
InChIKeyYZXMRYXUHCUIOC-UHFFFAOYSA-N
XLogP2.70
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[2-(4-methoxyphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 60516900
1-[(5-ethylthiophen-2-yl)methyl]-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methylguanidine
CID 111957163
N-[[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30180963
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 86896965
N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119988458
1-(4-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 51133166
N-[[5-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122308770
2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122387
2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 52855097
N-[[5-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122293527
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 146121971

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide (CID 86879604) is N-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)NCCc2coc(-c3ccc(F)cc3)n2)s1.
What is the InChIKey of N-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is YZXMRYXUHCUIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4S2/c1-12(23)20-10-16-6-7-17(27-16)28(24,25)21-9-8-15-11-26-18(22-15)13-2-4-14(19)5-3-13/h2-7,11,21H,8-10H2,1H3,(H,20,23).
What are the key properties of N-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 423.49 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 86879604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).