N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C21H22N2O5S2 — CID 39207534

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1OC
InChIInChI=1S/C21H22N2O5S2/c1-3-28-18-11-6-15(13-19(18)27-2)14-22-21(24)16-7-9-17(10-8-16)23-30(25,26)20-5-4-12-29-20/h4-13,23H,3,14H2,1-2H3,(H,22,24)
InChIKeyIJPMJFRQFSCWJG-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.89
Rot. Bonds9

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 39207534) has the molecular formula C21H22N2O5S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID39207534
Molecular FormulaC21H22N2O5S2
Molecular Weight446.55 g/mol
Exact Mass446.10
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1OC
InChIInChI=1S/C21H22N2O5S2/c1-3-28-18-11-6-15(13-19(18)27-2)14-22-21(24)16-7-9-17(10-8-16)23-30(25,26)20-5-4-12-29-20/h4-13,23H,3,14H2,1-2H3,(H,22,24)
InChIKeyIJPMJFRQFSCWJG-UHFFFAOYSA-N
XLogP3.89
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)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-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55727615
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55578020
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55954536
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771161
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37138088
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 55678008
N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39678609

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 39207534) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is CCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is IJPMJFRQFSCWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S2/c1-3-28-18-11-6-15(13-19(18)27-2)14-22-21(24)16-7-9-17(10-8-16)23-30(25,26)20-5-4-12-29-20/h4-13,23H,3,14H2,1-2H3,(H,22,24).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 446.55 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 39207534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).