N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide

C20H22N2O4S2 — CID 78860894

IUPACN-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)SCc2nc(-c3cccs3)oc2C)c1
InChIInChI=1S/C20H22N2O4S2/c1-12-16(22-20(26-12)18-6-5-9-27-18)11-28-13(2)19(23)21-15-10-14(24-3)7-8-17(15)25-4/h5-10,13H,11H2,1-4H3,(H,21,23)
InChIKeyLQICUUYVIFSLAO-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.99
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide

N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide (PubChem CID 78860894) has the molecular formula C20H22N2O4S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
PubChem CID78860894
Molecular FormulaC20H22N2O4S2
Molecular Weight418.54 g/mol
Exact Mass418.10
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)SCc2nc(-c3cccs3)oc2C)c1
InChIInChI=1S/C20H22N2O4S2/c1-12-16(22-20(26-12)18-6-5-9-27-18)11-28-13(2)19(23)21-15-10-14(24-3)7-8-17(15)25-4/h5-10,13H,11H2,1-4H3,(H,21,23)
InChIKeyLQICUUYVIFSLAO-UHFFFAOYSA-N
XLogP4.99
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
CID 97002491
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31781054
(2R)-N-[(2-chlorophenyl)methyl]-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
CID 31407456
N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 86931322
N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 78761678
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46514539
(2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 96535838
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2592868
3-methoxy-N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 46514440
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 55637699
N-(2,5-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356048
2-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide (CID 78860894) is N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide is COc1ccc(OC)c(NC(=O)C(C)SCc2nc(-c3cccs3)oc2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide?
The InChIKey is LQICUUYVIFSLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S2/c1-12-16(22-20(26-12)18-6-5-9-27-18)11-28-13(2)19(23)21-15-10-14(24-3)7-8-17(15)25-4/h5-10,13H,11H2,1-4H3,(H,21,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide?
N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide has a molecular weight of 418.54 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 78860894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).