N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide

C22H20N2O3S — CID 51246862

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
SMILESCc1cc(CSc2ccccc2C(=O)NC(C)c2cc3ccccc3o2)on1
InChIInChI=1S/C22H20N2O3S/c1-14-11-17(27-24-14)13-28-21-10-6-4-8-18(21)22(25)23-15(2)20-12-16-7-3-5-9-19(16)26-20/h3-12,15H,13H2,1-2H3,(H,23,25)
InChIKeyNQUTVMHUVSWFHF-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.51
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide (PubChem CID 51246862) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
PubChem CID51246862
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
SMILESCc1cc(CSc2ccccc2C(=O)NC(C)c2cc3ccccc3o2)on1
InChIInChI=1S/C22H20N2O3S/c1-14-11-17(27-24-14)13-28-21-10-6-4-8-18(21)22(25)23-15(2)20-12-16-7-3-5-9-19(16)26-20/h3-12,15H,13H2,1-2H3,(H,23,25)
InChIKeyNQUTVMHUVSWFHF-UHFFFAOYSA-N
XLogP5.51
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide with MolForge

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 110887316
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 46512574
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55653638
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
N-(3,3-diphenylpropyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 134030247
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 51246358
N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 94630233
N-(4-bromophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55433932
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(3-methylphenyl)benzamide
CID 51246069
propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate
CID 134037145
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55867348
N-(4-amino-3,5-dichlorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55522562

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide (CID 51246862) is N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide is Cc1cc(CSc2ccccc2C(=O)NC(C)c2cc3ccccc3o2)on1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is NQUTVMHUVSWFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-14-11-17(27-24-14)13-28-21-10-6-4-8-18(21)22(25)23-15(2)20-12-16-7-3-5-9-19(16)26-20/h3-12,15H,13H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 392.48 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 51246862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).