2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C16H24N2O5S — CID 27097814

IUPAC2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCOc1ccc(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC
InChIInChI=1S/C16H24N2O5S/c1-18(9-12-4-5-14(22-2)15(8-12)23-3)10-16(19)17-13-6-7-24(20,21)11-13/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyQOMVFKCAXYWMAD-CYBMUJFWSA-N
MW356.44 g/mol
LogP0.44
Rot. Bonds7

About 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 27097814) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID27097814
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCOc1ccc(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC
InChIInChI=1S/C16H24N2O5S/c1-18(9-12-4-5-14(22-2)15(8-12)23-3)10-16(19)17-13-6-7-24(20,21)11-13/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,17,19)/t13-/m1/s1
InChIKeyQOMVFKCAXYWMAD-CYBMUJFWSA-N
XLogP0.44
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]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

2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113165584
N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18144581
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026297
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 8911502
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113174068
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9196797
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4881709
2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110770066
N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide
CID 8844824
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 47107220
1-(3,4-dimethoxyphenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 52592483

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 27097814) is 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is COc1ccc(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is QOMVFKCAXYWMAD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-18(9-12-4-5-14(22-2)15(8-12)23-3)10-16(19)17-13-6-7-24(20,21)11-13/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,17,19)/t13-/m1/s1.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 356.44 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 27097814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).