3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide

C20H25NO5S — CID 8501498

IUPAC3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(C)c(OCCC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C20H25NO5S/c1-15-5-6-16(2)19(12-15)26-10-7-20(22)21(13-18-4-3-9-25-18)17-8-11-27(23,24)14-17/h3-6,9,12,17H,7-8,10-11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyBJEWJLAJPWDXIQ-QGZVFWFLSA-N
MW391.49 g/mol
LogP2.88
Rot. Bonds7

About 3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide

3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 8501498) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID8501498
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Name3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(C)c(OCCC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C20H25NO5S/c1-15-5-6-16(2)19(12-15)26-10-7-20(22)21(13-18-4-3-9-25-18)17-8-11-27(23,24)14-17/h3-6,9,12,17H,7-8,10-11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyBJEWJLAJPWDXIQ-QGZVFWFLSA-N
XLogP2.88
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-2-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)butanamide
CID 2471363
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 40953097
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3759925
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 9380986
3-(3-bromo-4-methoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)propanamide
CID 42948241
2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)propanamide
CID 3361080
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-6,8-dimethyl-4-oxochromene-2-carboxamide
CID 4859439
N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 134013720
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 102565822
2-(4-acetamidophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 51923302
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 17403927

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide (CID 8501498) is 3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide is Cc1ccc(C)c(OCCC(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is BJEWJLAJPWDXIQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-15-5-6-16(2)19(12-15)26-10-7-20(22)21(13-18-4-3-9-25-18)17-8-11-27(23,24)14-17/h3-6,9,12,17H,7-8,10-11,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide?
3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 391.49 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 8501498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).