N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide

C22H18N2O2S — CID 7579240

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C22H18N2O2S/c1-2-27-18-12-10-15(11-13-18)21(25)23-17-7-5-6-16(14-17)22-24-19-8-3-4-9-20(19)26-22/h3-14H,2H2,1H3,(H,23,25)
InChIKeyCJIVMVFVMYIUAV-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.86
Rot. Bonds5

About N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide

N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide (PubChem CID 7579240) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide
PubChem CID7579240
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide
SMILESCCSc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C22H18N2O2S/c1-2-27-18-12-10-15(11-13-18)21(25)23-17-7-5-6-16(14-17)22-24-19-8-3-4-9-20(19)26-22/h3-14H,2H2,1H3,(H,23,25)
InChIKeyCJIVMVFVMYIUAV-UHFFFAOYSA-N
XLogP5.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfanylbenzamide
CID 7565162
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 41148596
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide
CID 23797022
N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide
CID 29130005
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylsulfonylbenzamide
CID 7565654
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide
CID 2203697
4-ethyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 15987513
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 1068351
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-chlorobenzamide
CID 3968196
N-[4-[2-[4-(1,3-benzoxazol-2-yl)anilino]-2-oxoethyl]sulfanylphenyl]-4-methoxybenzamide
CID 23100939
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]pyridine-4-carboxamide
CID 777133

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide (CID 7579240) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide is CCSc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide?
The InChIKey is CJIVMVFVMYIUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-2-27-18-12-10-15(11-13-18)21(25)23-17-7-5-6-16(14-17)22-24-19-8-3-4-9-20(19)26-22/h3-14H,2H2,1H3,(H,23,25).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide has a molecular weight of 374.47 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-ethylsulfanylbenzamide is sourced from PubChem (CID 7579240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).