3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide

C20H23N3O4S — CID 9404274

IUPAC3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2nc3ccccc3o2)cc1
InChIInChI=1S/C20H23N3O4S/c1-3-23(4-2)28(25,26)16-11-9-15(10-12-16)21-19(24)13-14-20-22-17-7-5-6-8-18(17)27-20/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)
InChIKeyWFVOZDCSUKRZHJ-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.43
Rot. Bonds8

About 3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide

3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 9404274) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID9404274
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2nc3ccccc3o2)cc1
InChIInChI=1S/C20H23N3O4S/c1-3-23(4-2)28(25,26)16-11-9-15(10-12-16)21-19(24)13-14-20-22-17-7-5-6-8-18(17)27-20/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)
InChIKeyWFVOZDCSUKRZHJ-UHFFFAOYSA-N
XLogP3.43
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide
CID 9404315
3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide
CID 9020862
3-[4-(diethylsulfamoyl)phenyl]-N-quinolin-2-ylpropanamide
CID 55436052
3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17225945
3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide
CID 9403814
3-(1,3-benzoxazol-2-yl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
CID 9427644
N-[4-(diethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 18075261
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
N-(1H-benzimidazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27649678
3-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 9427692
N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46828199
N-[4-(diethylsulfamoyl)phenyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4843555

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide (CID 9404274) is 3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2nc3ccccc3o2)cc1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is WFVOZDCSUKRZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-3-23(4-2)28(25,26)16-11-9-15(10-12-16)21-19(24)13-14-20-22-17-7-5-6-8-18(17)27-20/h5-12H,3-4,13-14H2,1-2H3,(H,21,24).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide?
3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 401.49 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 9404274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).