N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide

C40H46N4O10S2 — CID 43947187

IUPACN-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
SMILESCOc1cc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)CC4CCCO4)cc3)c(OC)c2)ccc1NC(=O)c1ccc(S(=O)(=O)N(C)CC2CCCO2)cc1
InChIInChI=1S/C40H46N4O10S2/c1-43(25-31-7-5-21-53-31)55(47,48)33-15-9-27(10-16-33)39(45)41-35-19-13-29(23-37(35)51-3)30-14-20-36(38(24-30)52-4)42-40(46)28-11-17-34(18-12-28)56(49,50)44(2)26-32-8-6-22-54-32/h9-20,23-24,31-32H,5-8,21-22,25-26H2,1-4H3,(H,41,45)(H,42,46)
InChIKeyIYPRBLWBQIJCAG-UHFFFAOYSA-N
MW806.96 g/mol
LogP5.47
Rot. Bonds15

About N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide

N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide (PubChem CID 43947187) has the molecular formula C40H46N4O10S2 and a molecular weight of 806.96 g/mol. Its IUPAC name is N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
PubChem CID43947187
Molecular FormulaC40H46N4O10S2
Molecular Weight806.96 g/mol
Exact Mass806.27
IUPAC NameN-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
SMILESCOc1cc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)CC4CCCO4)cc3)c(OC)c2)ccc1NC(=O)c1ccc(S(=O)(=O)N(C)CC2CCCO2)cc1
InChIInChI=1S/C40H46N4O10S2/c1-43(25-31-7-5-21-53-31)55(47,48)33-15-9-27(10-16-33)39(45)41-35-19-13-29(23-37(35)51-3)30-14-20-36(38(24-30)52-4)42-40(46)28-11-17-34(18-12-28)56(49,50)44(2)26-32-8-6-22-54-32/h9-20,23-24,31-32H,5-8,21-22,25-26H2,1-4H3,(H,41,45)(H,42,46)
InChIKeyIYPRBLWBQIJCAG-UHFFFAOYSA-N
XLogP5.47
TPSA169.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.96
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide with MolForge

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Related Compounds

N-(2,5-dimethylphenyl)-4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzamide
CID 7202655
methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 16833627
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 18560849
4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-[4-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4136881
4-[methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 41139913
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18560848
4-ethylsulfonyl-N-[4-[4-[(4-ethylsulfonylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 43981188
N-(1-benzothiophen-5-yl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 18560873
methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 16833634
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 18560940
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 16833591
2-iodo-5-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 103962419

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide (CID 43947187) is N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide is COc1cc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)CC4CCCO4)cc3)c(OC)c2)ccc1NC(=O)c1ccc(S(=O)(=O)N(C)CC2CCCO2)cc1.
What is the InChIKey of N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide?
The InChIKey is IYPRBLWBQIJCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N4O10S2/c1-43(25-31-7-5-21-53-31)55(47,48)33-15-9-27(10-16-33)39(45)41-35-19-13-29(23-37(35)51-3)30-14-20-36(38(24-30)52-4)42-40(46)28-11-17-34(18-12-28)56(49,50)44(2)26-32-8-6-22-54-32/h9-20,23-24,31-32H,5-8,21-22,25-26H2,1-4H3,(H,41,45)(H,42,46).
What are the key properties of N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide?
N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide has a molecular weight of 806.96 g/mol, XLogP of 5.47, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[3-methoxy-4-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]phenyl]phenyl]-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide is sourced from PubChem (CID 43947187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).