2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide

C24H32N2O5S — CID 19243937

IUPAC2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)N(Cc2ccc(N3CCCCC3)o2)C2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C24H32N2O5S/c1-18-6-7-21(14-19(18)2)30-16-23(27)26(20-10-13-32(28,29)17-20)15-22-8-9-24(31-22)25-11-4-3-5-12-25/h6-9,14,20H,3-5,10-13,15-17H2,1-2H3
InChIKeyORFXLQJFICDFFG-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.48
Rot. Bonds7

About 2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide

2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide (PubChem CID 19243937) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide
PubChem CID19243937
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Name2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)N(Cc2ccc(N3CCCCC3)o2)C2CCS(=O)(=O)C2)cc1C
InChIInChI=1S/C24H32N2O5S/c1-18-6-7-21(14-19(18)2)30-16-23(27)26(20-10-13-32(28,29)17-20)15-22-8-9-24(31-22)25-11-4-3-5-12-25/h6-9,14,20H,3-5,10-13,15-17H2,1-2H3
InChIKeyORFXLQJFICDFFG-UHFFFAOYSA-N
XLogP3.48
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide
CID 19243871
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 18818107
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-ethylphenoxy)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 40643273
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]benzamide
CID 19243879
N-(1,1-dioxothiolan-3-yl)-2-oxo-N-[(5-piperidin-1-ylfuran-2-yl)methyl]chromene-3-carboxamide
CID 19243980
N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]naphthalene-1-carboxamide
CID 19243925
N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]thiophene-2-carboxamide
CID 19243899
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]acetamide
CID 19244212
2-(2,4-dichlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 40775858
N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenoxyacetamide
CID 42278605
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 9380986
N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
CID 17013262

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide (CID 19243937) is 2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide is Cc1ccc(OCC(=O)N(Cc2ccc(N3CCCCC3)o2)C2CCS(=O)(=O)C2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide?
The InChIKey is ORFXLQJFICDFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-18-6-7-21(14-19(18)2)30-16-23(27)26(20-10-13-32(28,29)17-20)15-22-8-9-24(31-22)25-11-4-3-5-12-25/h6-9,14,20H,3-5,10-13,15-17H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide?
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide has a molecular weight of 460.60 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(5-piperidin-1-ylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 19243937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).