N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C20H20N2O4S2 — CID 55727615

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOCc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C20H20N2O4S2/c1-26-14-16-5-2-4-15(12-16)13-21-20(23)17-7-9-18(10-8-17)22-28(24,25)19-6-3-11-27-19/h2-12,22H,13-14H2,1H3,(H,21,23)
InChIKeyOXKGNASXKJHQNY-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.63
Rot. Bonds8

About N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 55727615) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID55727615
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOCc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C20H20N2O4S2/c1-26-14-16-5-2-4-15(12-16)13-21-20(23)17-7-9-18(10-8-17)22-28(24,25)19-6-3-11-27-19/h2-12,22H,13-14H2,1H3,(H,21,23)
InChIKeyOXKGNASXKJHQNY-UHFFFAOYSA-N
XLogP3.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
N-[[3-(phenoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55954536
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39171548
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479173
N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55578020
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 46466645
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786642
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24680132

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 55727615) is N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is COCc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is OXKGNASXKJHQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-26-14-16-5-2-4-15(12-16)13-21-20(23)17-7-9-18(10-8-17)22-28(24,25)19-6-3-11-27-19/h2-12,22H,13-14H2,1H3,(H,21,23).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 416.52 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 55727615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).