N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide

C20H24N2O5S — CID 46778220

IUPACN-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H24N2O5S/c1-26-19-5-3-2-4-18(19)14-21-20(23)17-8-6-16(7-9-17)15-28(24,25)22-10-12-27-13-11-22/h2-9H,10-15H2,1H3,(H,21,23)
InChIKeyKQZHLJBUWLKZME-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.79
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide

N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide (PubChem CID 46778220) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
PubChem CID46778220
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H24N2O5S/c1-26-19-5-3-2-4-18(19)14-21-20(23)17-8-6-16(7-9-17)15-28(24,25)22-10-12-27-13-11-22/h2-9H,10-15H2,1H3,(H,21,23)
InChIKeyKQZHLJBUWLKZME-UHFFFAOYSA-N
XLogP1.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 28564417
N-[(2-methoxyphenyl)methyl]-4-[[(2-morpholin-4-yl-3,4-dioxocyclobuten-1-yl)amino]methyl]benzamide
CID 20888659
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 24541806
4-(morpholin-4-ylsulfonylmethyl)-N-(2-phenylethyl)benzamide
CID 92678255
N-(2,4-dimethoxyphenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99951275
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 24541820
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24541809
N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 28565234
methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92676862
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 17409313
N-(2-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969488
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109046451

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide (CID 46778220) is N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide is COc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide?
The InChIKey is KQZHLJBUWLKZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-26-19-5-3-2-4-18(19)14-21-20(23)17-8-6-16(7-9-17)15-28(24,25)22-10-12-27-13-11-22/h2-9H,10-15H2,1H3,(H,21,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide?
N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide has a molecular weight of 404.49 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 46778220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).