2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C22H23N3O5S — CID 51696436

IUPAC2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESC[C@@H]1Cc2cc(-c3cc(CC(=O)NCCc4ccc(S(N)(=O)=O)cc4)no3)ccc2O1
InChIInChI=1S/C22H23N3O5S/c1-14-10-17-11-16(4-7-20(17)29-14)21-12-18(25-30-21)13-22(26)24-9-8-15-2-5-19(6-3-15)31(23,27)28/h2-7,11-12,14H,8-10,13H2,1H3,(H,24,26)(H2,23,27,28)/t14-/m1/s1
InChIKeyIDUHINARXCEONT-CQSZACIVSA-N
MW441.51 g/mol
LogP2.21
Rot. Bonds7

About 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 51696436) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID51696436
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESC[C@@H]1Cc2cc(-c3cc(CC(=O)NCCc4ccc(S(N)(=O)=O)cc4)no3)ccc2O1
InChIInChI=1S/C22H23N3O5S/c1-14-10-17-11-16(4-7-20(17)29-14)21-12-18(25-30-21)13-22(26)24-9-8-15-2-5-19(6-3-15)31(23,27)28/h2-7,11-12,14H,8-10,13H2,1H3,(H,24,26)(H2,23,27,28)/t14-/m1/s1
InChIKeyIDUHINARXCEONT-CQSZACIVSA-N
XLogP2.21
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]acetamide
CID 51696429
2-[5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 93477821
N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 51863054
(E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide
CID 178186548
[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 45497881
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30126498
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313446
2-(benzimidazol-1-yl)-N-[[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]methyl]acetamide
CID 93486204
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110619481
N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089481
4-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22513005

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 51696436) is 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is C[C@@H]1Cc2cc(-c3cc(CC(=O)NCCc4ccc(S(N)(=O)=O)cc4)no3)ccc2O1.
What is the InChIKey of 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is IDUHINARXCEONT-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-14-10-17-11-16(4-7-20(17)29-14)21-12-18(25-30-21)13-22(26)24-9-8-15-2-5-19(6-3-15)31(23,27)28/h2-7,11-12,14H,8-10,13H2,1H3,(H,24,26)(H2,23,27,28)/t14-/m1/s1.
What are the key properties of 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 441.51 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazol-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 51696436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).