N-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C20H21N3O3S — CID 1334191

IUPACN-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)c1
InChIInChI=1S/C20H21N3O3S/c1-13-5-4-6-16(10-13)25-11-19-22-23-20(26-19)27-12-18(24)21-17-8-7-14(2)9-15(17)3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyUPERNZFCYJLDJR-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.30
Rot. Bonds7

About N-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1334191) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID1334191
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)c1
InChIInChI=1S/C20H21N3O3S/c1-13-5-4-6-16(10-13)25-11-19-22-23-20(26-19)27-12-18(24)21-17-8-7-14(2)9-15(17)3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyUPERNZFCYJLDJR-UHFFFAOYSA-N
XLogP4.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1334191) is N-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is UPERNZFCYJLDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13-5-4-6-16(10-13)25-11-19-22-23-20(26-19)27-12-18(24)21-17-8-7-14(2)9-15(17)3/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1334191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).