N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

C21H26N2O4S — CID 26973012

IUPACN-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C21H26N2O4S/c1-22(21(24)19-5-3-4-18(14-19)16-28(2,25)26)15-17-6-8-20(9-7-17)23-10-12-27-13-11-23/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyAWFFCENEKPTIMN-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.34
Rot. Bonds6

About N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide

N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (PubChem CID 26973012) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
PubChem CID26973012
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C21H26N2O4S/c1-22(21(24)19-5-3-4-18(14-19)16-28(2,25)26)15-17-6-8-20(9-7-17)23-10-12-27-13-11-23/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyAWFFCENEKPTIMN-UHFFFAOYSA-N
XLogP2.34
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
CID 8967371
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26973149
3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 24516663
3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 24551926
4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 42920355
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 46427153
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55966910
2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 35603946
4-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 24551846
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 134009668
(2-morpholin-4-yl-2-oxoethyl) 3-(methylsulfonylmethyl)benzoate
CID 8836549
(2S)-2-(methanesulfonamido)-N,3-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 154839058

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The IUPAC name of N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide (CID 26973012) is N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide.
What is the SMILES notation for N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The canonical SMILES for N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(CS(C)(=O)=O)c1.
What is the InChIKey of N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
The InChIKey is AWFFCENEKPTIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-22(21(24)19-5-3-4-18(14-19)16-28(2,25)26)15-17-6-8-20(9-7-17)23-10-12-27-13-11-23/h3-9,14H,10-13,15-16H2,1-2H3.
What are the key properties of N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide?
N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide is sourced from PubChem (CID 26973012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).