N-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide

C21H23N3O3S — CID 75448130

IUPACN-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CSc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C21H23N3O3S/c1-4-24(13-16-8-10-18(26-3)11-9-16)19(25)14-28-21-22-20(23-27-21)17-7-5-6-15(2)12-17/h5-12H,4,13-14H2,1-3H3
InChIKeyHJZCJHCBXJCXCZ-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.19
Rot. Bonds8

About N-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide

N-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide (PubChem CID 75448130) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide
PubChem CID75448130
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CSc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C21H23N3O3S/c1-4-24(13-16-8-10-18(26-3)11-9-16)19(25)14-28-21-22-20(23-27-21)17-7-5-6-15(2)12-17/h5-12H,4,13-14H2,1-3H3
InChIKeyHJZCJHCBXJCXCZ-UHFFFAOYSA-N
XLogP4.19
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide (CID 75448130) is N-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide is CCN(Cc1ccc(OC)cc1)C(=O)CSc1nc(-c2cccc(C)c2)no1.
What is the InChIKey of N-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is HJZCJHCBXJCXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-24(13-16-8-10-18(26-3)11-9-16)19(25)14-28-21-22-20(23-27-21)17-7-5-6-15(2)12-17/h5-12H,4,13-14H2,1-3H3.
What are the key properties of N-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide?
N-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxyphenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 75448130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).