3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide

C20H23N3O4S — CID 9020862

IUPAC3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCc2nc3ccccc3o2)c1
InChIInChI=1S/C20H23N3O4S/c1-20(2,3)23-28(25,26)15-8-6-7-14(13-15)21-18(24)11-12-19-22-16-9-4-5-10-17(16)27-19/h4-10,13,23H,11-12H2,1-3H3,(H,21,24)
InChIKeyTZRFNOCJCIZXFY-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.48
Rot. Bonds6

About 3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide

3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide (PubChem CID 9020862) 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-[3-(tert-butylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide
PubChem CID9020862
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCc2nc3ccccc3o2)c1
InChIInChI=1S/C20H23N3O4S/c1-20(2,3)23-28(25,26)15-8-6-7-14(13-15)21-18(24)11-12-19-22-16-9-4-5-10-17(16)27-19/h4-10,13,23H,11-12H2,1-3H3,(H,21,24)
InChIKeyTZRFNOCJCIZXFY-UHFFFAOYSA-N
XLogP3.48
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzoxazol-2-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 9404274
4-[3-(1,3-benzoxazol-2-yl)propanoylamino]benzamide
CID 9404315
N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 9107906
3-(1,3-benzoxazol-2-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 9427692
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 9108470
N-[3-(tert-butylsulfamoyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 9108286
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea
CID 52539457
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 9108432
N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 1296104
N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 126268267
(2S)-2-[3-(1,3-benzoxazol-2-yl)propanoylamino]propanoic acid
CID 119238117
3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide
CID 9403814

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide (CID 9020862) is 3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCc2nc3ccccc3o2)c1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide?
The InChIKey is TZRFNOCJCIZXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-20(2,3)23-28(25,26)15-8-6-7-14(13-15)21-18(24)11-12-19-22-16-9-4-5-10-17(16)27-19/h4-10,13,23H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide?
3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide has a molecular weight of 401.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 9020862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).