N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide

C20H24N2O6S — CID 55625521

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cccc(CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c1OC
InChIInChI=1S/C20H24N2O6S/c1-26-17-8-5-6-15(19(17)27-2)14-21-20(23)16-7-3-4-9-18(16)29(24,25)22-10-12-28-13-11-22/h3-9H,10-14H2,1-2H3,(H,21,23)
InChIKeyLICZFKVAUWRANK-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.65
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide

N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide (PubChem CID 55625521) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
PubChem CID55625521
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
SMILESCOc1cccc(CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c1OC
InChIInChI=1S/C20H24N2O6S/c1-26-17-8-5-6-15(19(17)27-2)14-21-20(23)16-7-3-4-9-18(16)29(24,25)22-10-12-28-13-11-22/h3-9H,10-14H2,1-2H3,(H,21,23)
InChIKeyLICZFKVAUWRANK-UHFFFAOYSA-N
XLogP1.65
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625602
2-(difluoromethoxy)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 30955346
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55338519
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
N-[4-(2-methoxyphenoxy)phenyl]-2-morpholin-4-ylsulfonylbenzamide
CID 31976551
N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623393
2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 6617066
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30797106
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167940
2-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 39944232

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide (CID 55625521) is N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide is COc1cccc(CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide?
The InChIKey is LICZFKVAUWRANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-26-17-8-5-6-15(19(17)27-2)14-21-20(23)16-7-3-4-9-18(16)29(24,25)22-10-12-28-13-11-22/h3-9H,10-14H2,1-2H3,(H,21,23).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide has a molecular weight of 420.49 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55625521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).