N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide

C22H23NO4S — CID 55804256

IUPACN-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
SMILESCOCCOc1cccc(CNC(=O)c2cccc(OCc3cccs3)c2)c1
InChIInChI=1S/C22H23NO4S/c1-25-10-11-26-19-7-2-5-17(13-19)15-23-22(24)18-6-3-8-20(14-18)27-16-21-9-4-12-28-21/h2-9,12-14H,10-11,15-16H2,1H3,(H,23,24)
InChIKeyFYCZWXATWKJQRV-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.28
Rot. Bonds10

About N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide

N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide (PubChem CID 55804256) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
PubChem CID55804256
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
SMILESCOCCOc1cccc(CNC(=O)c2cccc(OCc3cccs3)c2)c1
InChIInChI=1S/C22H23NO4S/c1-25-10-11-26-19-7-2-5-17(13-19)15-23-22(24)18-6-3-8-20(14-18)27-16-21-9-4-12-28-21/h2-9,12-14H,10-11,15-16H2,1H3,(H,23,24)
InChIKeyFYCZWXATWKJQRV-UHFFFAOYSA-N
XLogP4.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide 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-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55782491
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 142337904
N-[(3-hydroxyphenyl)methyl]-3-propoxybenzamide
CID 61151190
N-[(2R)-2-(ethylamino)propyl]-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 120651028
3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide
CID 126826403
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 120948505
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86835966
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55801473
5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110764
3-(dimethylamino)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685710

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide?
The IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide (CID 55804256) is N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide?
The canonical SMILES for N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide is COCCOc1cccc(CNC(=O)c2cccc(OCc3cccs3)c2)c1.
What is the InChIKey of N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide?
The InChIKey is FYCZWXATWKJQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-25-10-11-26-19-7-2-5-17(13-19)15-23-22(24)18-6-3-8-20(14-18)27-16-21-9-4-12-28-21/h2-9,12-14H,10-11,15-16H2,1H3,(H,23,24).
What are the key properties of N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide?
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide has a molecular weight of 397.50 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide is sourced from PubChem (CID 55804256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).