N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide

C25H26N2O4S — CID 167754266

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC(C)O1
InChIInChI=1S/C25H26N2O4S/c1-18-16-27(17-19(2)31-18)32(29,30)24-14-12-23(13-15-24)26-25(28)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-15,18-19H,16-17H2,1-2H3,(H,26,28)
InChIKeyXDRHGZUCMOOHPS-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.40
Rot. Bonds5

About N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide

N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide (PubChem CID 167754266) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide
PubChem CID167754266
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC(C)O1
InChIInChI=1S/C25H26N2O4S/c1-18-16-27(17-19(2)31-18)32(29,30)24-14-12-23(13-15-24)26-25(28)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-15,18-19H,16-17H2,1-2H3,(H,26,28)
InChIKeyXDRHGZUCMOOHPS-UHFFFAOYSA-N
XLogP4.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 2326585
2,6-dimethyl-4-(4-phenylphenyl)sulfonylmorpholine
CID 3274124
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41489399
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 27604230
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 41170655
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]furan-3-carboxamide
CID 27018677
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide
CID 99678549
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 4295419

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide (CID 167754266) is N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide is CC1CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide?
The InChIKey is XDRHGZUCMOOHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-18-16-27(17-19(2)31-18)32(29,30)24-14-12-23(13-15-24)26-25(28)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-15,18-19H,16-17H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide?
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide has a molecular weight of 450.56 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide is sourced from PubChem (CID 167754266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).