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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Related Compounds

N-ethyl-2-(4-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8836273
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 8874982
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-methylacetamide
CID 97262337
2-[[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 62957229
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 55319518
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-naphthalen-1-ylacetamide
CID 7694093
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]-N-propylacetamide
CID 97339919
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46988817
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 8836183
N-ethyl-2-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835940
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-prop-2-ynoxybenzamide
CID 40772017
N-benzyl-N-ethyl-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7555954

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).