N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide

C20H21N3O4S — CID 43975517

IUPACN-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
SMILESCCSc1ccc(Cc2nnc(NC(=O)c3cc(OC)ccc3OC)o2)cc1
InChIInChI=1S/C20H21N3O4S/c1-4-28-15-8-5-13(6-9-15)11-18-22-23-20(27-18)21-19(24)16-12-14(25-2)7-10-17(16)26-3/h5-10,12H,4,11H2,1-3H3,(H,21,23,24)
InChIKeyDQFIPNLWIPJTSW-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.04
Rot. Bonds8

About N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide

N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide (PubChem CID 43975517) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
PubChem CID43975517
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
SMILESCCSc1ccc(Cc2nnc(NC(=O)c3cc(OC)ccc3OC)o2)cc1
InChIInChI=1S/C20H21N3O4S/c1-4-28-15-8-5-13(6-9-15)11-18-22-23-20(27-18)21-19(24)16-12-14(25-2)7-10-17(16)26-3/h5-10,12H,4,11H2,1-3H3,(H,21,23,24)
InChIKeyDQFIPNLWIPJTSW-UHFFFAOYSA-N
XLogP4.04
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 43975494
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 43975482
2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975298
4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975408
3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43974075
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethylbenzamide
CID 43975536
3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43973259
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pentoxybenzamide
CID 43975392
2-(4-ethoxyphenyl)-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43975495
3-bromo-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975347
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 43975293
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 43975320

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide (CID 43975517) is N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide is CCSc1ccc(Cc2nnc(NC(=O)c3cc(OC)ccc3OC)o2)cc1.
What is the InChIKey of N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide?
The InChIKey is DQFIPNLWIPJTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-4-28-15-8-5-13(6-9-15)11-18-22-23-20(27-18)21-19(24)16-12-14(25-2)7-10-17(16)26-3/h5-10,12H,4,11H2,1-3H3,(H,21,23,24).
What are the key properties of N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide?
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide has a molecular weight of 399.47 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 43975517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).