N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C18H21N5O6S — CID 74925313

IUPACN-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(CC3C(=O)NC(=O)NC3C)o2)cc1OC
InChIInChI=1S/C18H21N5O6S/c1-9-11(16(25)21-17(26)19-9)7-15-22-23-18(29-15)30-8-14(24)20-10-4-5-12(27-2)13(6-10)28-3/h4-6,9,11H,7-8H2,1-3H3,(H,20,24)(H2,19,21,25,26)
InChIKeyMVQYZATXYQHNAQ-UHFFFAOYSA-N
MW435.46 g/mol
LogP1.20
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 74925313) has the molecular formula C18H21N5O6S and a molecular weight of 435.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID74925313
Molecular FormulaC18H21N5O6S
Molecular Weight435.46 g/mol
Exact Mass435.12
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(CC3C(=O)NC(=O)NC3C)o2)cc1OC
InChIInChI=1S/C18H21N5O6S/c1-9-11(16(25)21-17(26)19-9)7-15-22-23-18(29-15)30-8-14(24)20-10-4-5-12(27-2)13(6-10)28-3/h4-6,9,11H,7-8H2,1-3H3,(H,20,24)(H2,19,21,25,26)
InChIKeyMVQYZATXYQHNAQ-UHFFFAOYSA-N
XLogP1.20
TPSA144.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 74925324
N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 74925330
5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione
CID 74925350
N-(3,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2701910
6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione
CID 74925406
N-(3-chloro-4-methoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3895754
2-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 17245190
2-[[5-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 99944204
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 102629880
N-(4-chloro-3-nitrophenyl)-2-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 17245199
2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 43952799
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-4-ylacetamide
CID 4044910

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 74925313) is N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nnc(CC3C(=O)NC(=O)NC3C)o2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is MVQYZATXYQHNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O6S/c1-9-11(16(25)21-17(26)19-9)7-15-22-23-18(29-15)30-8-14(24)20-10-4-5-12(27-2)13(6-10)28-3/h4-6,9,11H,7-8H2,1-3H3,(H,20,24)(H2,19,21,25,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 435.46 g/mol, XLogP of 1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 74925313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).