2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide

C19H20N2O4S — CID 23970274

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide
SMILESCCC(Sc1nc2ccccc2o1)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C19H20N2O4S/c1-4-17(26-19-21-13-7-5-6-8-15(13)25-19)18(22)20-14-10-9-12(23-2)11-16(14)24-3/h5-11,17H,4H2,1-3H3,(H,20,22)
InChIKeyZBGOIYGJLXYQPA-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.35
Rot. Bonds7

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide (PubChem CID 23970274) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide
PubChem CID23970274
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide
SMILESCCC(Sc1nc2ccccc2o1)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C19H20N2O4S/c1-4-17(26-19-21-13-7-5-6-8-15(13)25-19)18(22)20-14-10-9-12(23-2)11-16(14)24-3/h5-11,17H,4H2,1-3H3,(H,20,22)
InChIKeyZBGOIYGJLXYQPA-UHFFFAOYSA-N
XLogP4.35
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-naphthalen-1-ylbutanamide
CID 2891403
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3,4-dimethylphenyl)butanamide
CID 23743056
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 2978758
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)butanamide
CID 92684483
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 2891360
(E)-3-(1,3-benzoxazol-2-yl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 17413045
N-(2,4-dimethoxyphenyl)-2-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanamide
CID 136684434
(2R)-N-(3,5-dimethoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)butanamide
CID 92708370
N-(2,4-dimethoxyphenyl)-2-[[4-(ethylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanamide
CID 136686699
N-(2,4-dimethoxyphenyl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanamide
CID 19317007
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 5201245
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16539544

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide (CID 23970274) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide is CCC(Sc1nc2ccccc2o1)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide?
The InChIKey is ZBGOIYGJLXYQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-4-17(26-19-21-13-7-5-6-8-15(13)25-19)18(22)20-14-10-9-12(23-2)11-16(14)24-3/h5-11,17H,4H2,1-3H3,(H,20,22).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide has a molecular weight of 372.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 23970274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).