N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C25H26N2O4S — CID 5161786

IUPACN-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H26N2O4S/c1-19-11-12-22(18-24(19)32(29,30)27-13-15-31-16-14-27)25(28)26-23-10-6-5-9-21(23)17-20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3,(H,26,28)
InChIKeyFKZJIMGRZQLOPL-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.86
Rot. Bonds6

About N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 5161786) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID5161786
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H26N2O4S/c1-19-11-12-22(18-24(19)32(29,30)27-13-15-31-16-14-27)25(28)26-23-10-6-5-9-21(23)17-20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3,(H,26,28)
InChIKeyFKZJIMGRZQLOPL-UHFFFAOYSA-N
XLogP3.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55670048
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
N-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3247627
N-(2-benzylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37024629
4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2940828
4-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55642516
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
N-[3-(methoxymethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 32638427
N-(1-benzylpiperidin-4-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 24981031
N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26795823

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 5161786) is N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is FKZJIMGRZQLOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-19-11-12-22(18-24(19)32(29,30)27-13-15-31-16-14-27)25(28)26-23-10-6-5-9-21(23)17-20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3,(H,26,28).
What are the key properties of N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 450.56 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 5161786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).