2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide

C19H20FN3O5S — CID 19260066

IUPAC2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O5S/c1-3-22(4-2)29(26,27)15-9-10-16-17(11-15)28-19(25)23(16)12-18(24)21-14-7-5-13(20)6-8-14/h5-11H,3-4,12H2,1-2H3,(H,21,24)
InChIKeySRIINONTEYBFPN-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.40
Rot. Bonds7

About 2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide

2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 19260066) has the molecular formula C19H20FN3O5S and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide
PubChem CID19260066
Molecular FormulaC19H20FN3O5S
Molecular Weight421.45 g/mol
Exact Mass421.11
IUPAC Name2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O5S/c1-3-22(4-2)29(26,27)15-9-10-16-17(11-15)28-19(25)23(16)12-18(24)21-14-7-5-13(20)6-8-14/h5-11H,3-4,12H2,1-2H3,(H,21,24)
InChIKeySRIINONTEYBFPN-UHFFFAOYSA-N
XLogP2.40
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 19260094
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17308490
2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-methylphenyl)acetamide
CID 19260047
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2579264
2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 53124845
methyl 2-[6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051829
N-(4-ethylphenyl)-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 5307802
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-N,N-diethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 19259699
N-(4-fluorophenyl)-2-[1-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124967
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8986491
2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 2348060
2-[6-(dimethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-naphthalen-1-ylacetamide
CID 19260057

Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide (CID 19260066) is 2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is SRIINONTEYBFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O5S/c1-3-22(4-2)29(26,27)15-9-10-16-17(11-15)28-19(25)23(16)12-18(24)21-14-7-5-13(20)6-8-14/h5-11H,3-4,12H2,1-2H3,(H,21,24).
What are the key properties of 2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide?
2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 421.45 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylsulfamoyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 19260066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).