4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide

C20H24N2O7S2 — CID 110166858

IUPAC4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1CN1CCOCC1
InChIInChI=1S/C20H24N2O7S2/c1-28-19-8-3-15(13-16(19)14-22-9-11-29-12-10-22)20(23)21-31(26,27)18-6-4-17(5-7-18)30(2,24)25/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyQYYHLHIZIMXVOZ-UHFFFAOYSA-N
MW468.55 g/mol
LogP1.05
Rot. Bonds7

About 4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide

4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 110166858) has the molecular formula C20H24N2O7S2 and a molecular weight of 468.55 g/mol. Its IUPAC name is 4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide
PubChem CID110166858
Molecular FormulaC20H24N2O7S2
Molecular Weight468.55 g/mol
Exact Mass468.10
IUPAC Name4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1CN1CCOCC1
InChIInChI=1S/C20H24N2O7S2/c1-28-19-8-3-15(13-16(19)14-22-9-11-29-12-10-22)20(23)21-31(26,27)18-6-4-17(5-7-18)30(2,24)25/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyQYYHLHIZIMXVOZ-UHFFFAOYSA-N
XLogP1.05
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid
CID 117447646
(E)-3-(3,4-dimethoxyphenyl)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
CID 8830206
4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 31534702
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31446019
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 38019961
2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110300194
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate
CID 55824099
4-methoxy-3-(morpholin-4-ylmethyl)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 59680112
ethyl 2-hydroxy-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]acetate
CID 117494133
4-(ethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 24636024

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide (CID 110166858) is 4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide is COc1ccc(C(=O)NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1CN1CCOCC1.
What is the InChIKey of 4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is QYYHLHIZIMXVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7S2/c1-28-19-8-3-15(13-16(19)14-22-9-11-29-12-10-22)20(23)21-31(26,27)18-6-4-17(5-7-18)30(2,24)25/h3-8,13H,9-12,14H2,1-2H3,(H,21,23).
What are the key properties of 4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide?
4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 468.55 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 110166858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).