2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide

C20H21NO4S2 — CID 121133805

IUPAC2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C(O)c3ccsc3)s2)cc1OC
InChIInChI=1S/C20H21NO4S2/c1-24-16-5-3-13(9-17(16)25-2)10-19(22)21-11-15-4-6-18(27-15)20(23)14-7-8-26-12-14/h3-9,12,20,23H,10-11H2,1-2H3,(H,21,22)
InChIKeyPHLSNKJWUOQASC-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.77
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide (PubChem CID 121133805) has the molecular formula C20H21NO4S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
PubChem CID121133805
Molecular FormulaC20H21NO4S2
Molecular Weight403.53 g/mol
Exact Mass403.09
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C(O)c3ccsc3)s2)cc1OC
InChIInChI=1S/C20H21NO4S2/c1-24-16-5-3-13(9-17(16)25-2)10-19(22)21-11-15-4-6-18(27-15)20(23)14-7-8-26-12-14/h3-9,12,20,23H,10-11H2,1-2H3,(H,21,22)
InChIKeyPHLSNKJWUOQASC-UHFFFAOYSA-N
XLogP3.77
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-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-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzamide
CID 121133783
2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide
CID 86264109
(E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 121133837
2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133766
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzamide
CID 86264191
2-benzylsulfanyl-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133787
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 121133703
2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)acetamide
CID 16931742
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-methylsulfanylbenzamide
CID 121133764
N'-(3,5-dimethylphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]oxamide
CID 121133966
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
N-[(5-benzoylthiophen-2-yl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90612947

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide (CID 121133805) is 2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide is COc1ccc(CC(=O)NCc2ccc(C(O)c3ccsc3)s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is PHLSNKJWUOQASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S2/c1-24-16-5-3-13(9-17(16)25-2)10-19(22)21-11-15-4-6-18(27-15)20(23)14-7-8-26-12-14/h3-9,12,20,23H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 403.53 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 121133805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).