N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide

C53H48N4O8S4 — CID 102205335

IUPACN-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
SMILESO=C(NCc1cccs1)c1ccccc1OCC(COc1ccccc1C(=O)NCc1cccs1)(COc1ccccc1C(=O)NCc1cccs1)COc1ccccc1C(=O)NCc1cccs1
InChIInChI=1S/C53H48N4O8S4/c58-49(54-29-37-13-9-25-66-37)41-17-1-5-21-45(41)62-33-53(34-63-46-22-6-2-18-42(46)50(59)55-30-38-14-10-26-67-38,35-64-47-23-7-3-19-43(47)51(60)56-31-39-15-11-27-68-39)36-65-48-24-8-4-20-44(48)52(61)57-32-40-16-12-28-69-40/h1-28H,29-36H2,(H,54,58)(H,55,59)(H,56,60)(H,57,61)
InChIKeyXCPCOGWWYBGVLM-UHFFFAOYSA-N
MW997.25 g/mol
LogP10.25
Rot. Bonds24

About N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide

N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide (PubChem CID 102205335) has the molecular formula C53H48N4O8S4 and a molecular weight of 997.25 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
PubChem CID102205335
Molecular FormulaC53H48N4O8S4
Molecular Weight997.25 g/mol
Exact Mass996.24
IUPAC NameN-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
SMILESO=C(NCc1cccs1)c1ccccc1OCC(COc1ccccc1C(=O)NCc1cccs1)(COc1ccccc1C(=O)NCc1cccs1)COc1ccccc1C(=O)NCc1cccs1
InChIInChI=1S/C53H48N4O8S4/c58-49(54-29-37-13-9-25-66-37)41-17-1-5-21-45(41)62-33-53(34-63-46-22-6-2-18-42(46)50(59)55-30-38-14-10-26-67-38,35-64-47-23-7-3-19-43(47)51(60)56-31-39-15-11-27-68-39)36-65-48-24-8-4-20-44(48)52(61)57-32-40-16-12-28-69-40/h1-28H,29-36H2,(H,54,58)(H,55,59)(H,56,60)(H,57,61)
InChIKeyXCPCOGWWYBGVLM-UHFFFAOYSA-N
XLogP10.25
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500997.25
LogP ≤ 510.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide with MolForge

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Related Compounds

N-(pyridin-2-ylmethyl)-2-[3-[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(pyridin-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102035338
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
2-hydroxy-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 43242463
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate
CID 7894213
2-(2-amino-2-oxoethoxy)-N-(2-thiophen-2-ylethyl)benzamide
CID 134031335
2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 143453857
2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4946095
2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 2774319
2-phenoxy-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 35138227
2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide
CID 138738128
3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide (CID 102205335) is N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide is O=C(NCc1cccs1)c1ccccc1OCC(COc1ccccc1C(=O)NCc1cccs1)(COc1ccccc1C(=O)NCc1cccs1)COc1ccccc1C(=O)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide?
The InChIKey is XCPCOGWWYBGVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48N4O8S4/c58-49(54-29-37-13-9-25-66-37)41-17-1-5-21-45(41)62-33-53(34-63-46-22-6-2-18-42(46)50(59)55-30-38-14-10-26-67-38,35-64-47-23-7-3-19-43(47)51(60)56-31-39-15-11-27-68-39)36-65-48-24-8-4-20-44(48)52(61)57-32-40-16-12-28-69-40/h1-28H,29-36H2,(H,54,58)(H,55,59)(H,56,60)(H,57,61).
What are the key properties of N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide?
N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide has a molecular weight of 997.25 g/mol, XLogP of 10.25, 24 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide is sourced from PubChem (CID 102205335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).