2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide

C23H19N3O3S — CID 9006473

IUPAC2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H19N3O3S/c27-21(15-30-23-26-19-12-6-7-13-20(19)29-23)25-18-11-5-4-10-17(18)22(28)24-14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,28)(H,25,27)
InChIKeyULUTWFBIWHBGNZ-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.49
Rot. Bonds7

About 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide

2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide (PubChem CID 9006473) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide.

Molecular Properties

Compound Name2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide
PubChem CID9006473
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H19N3O3S/c27-21(15-30-23-26-19-12-6-7-13-20(19)29-23)25-18-11-5-4-10-17(18)22(28)24-14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,28)(H,25,27)
InChIKeyULUTWFBIWHBGNZ-UHFFFAOYSA-N
XLogP4.49
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chlorophenyl)acetamide
CID 708751
N-benzyl-2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 18201786
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-nitrophenyl)acetamide
CID 596702
N-[2-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9471435
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]furan-2-carbohydrazide
CID 7756427
N'-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2-bromobenzohydrazide
CID 9340002
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 38114418
N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide
CID 17454038
N-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide
CID 52772307
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9438955
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836104
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-benzyl-2,6-dioxopyrimidin-4-yl)acetamide
CID 1409105

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide?
The IUPAC name of 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide (CID 9006473) is 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide.
What is the SMILES notation for 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide?
The canonical SMILES for 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide is O=C(CSc1nc2ccccc2o1)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide?
The InChIKey is ULUTWFBIWHBGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c27-21(15-30-23-26-19-12-6-7-13-20(19)29-23)25-18-11-5-4-10-17(18)22(28)24-14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide?
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide has a molecular weight of 417.49 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide is sourced from PubChem (CID 9006473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).