[4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone

C26H29N3O4S — CID 46181226

IUPAC[4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone
SMILESCN(C)S(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C26H29N3O4S/c1-27(2)34(31,32)29(19-21-9-5-3-6-10-21)24-15-13-23(14-16-24)26(30)28-17-18-33-25(20-28)22-11-7-4-8-12-22/h3-16,25H,17-20H2,1-2H3
InChIKeyUNRDIFKOWPBRPN-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.71
Rot. Bonds7

About [4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone

[4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone (PubChem CID 46181226) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is [4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone
PubChem CID46181226
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name[4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone
SMILESCN(C)S(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1
InChIInChI=1S/C26H29N3O4S/c1-27(2)34(31,32)29(19-21-9-5-3-6-10-21)24-15-13-23(14-16-24)26(30)28-17-18-33-25(20-28)22-11-7-4-8-12-22/h3-16,25H,17-20H2,1-2H3
InChIKeyUNRDIFKOWPBRPN-UHFFFAOYSA-N
XLogP3.71
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[benzyl(dimethylsulfamoyl)amino]-2-fluorophenyl]-(2-phenylmorpholin-4-yl)methanone
CID 46181227
N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354508
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
[4-(dimethylamino)phenyl]-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134770
N-[4-(2-phenylmorpholine-4-carbonyl)phenyl]benzamide
CID 42944919
[4-(4-methylpiperazin-1-yl)phenyl]-(2-phenylmorpholin-4-yl)methanone
CID 131903363
1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea
CID 71898747
[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 110364195
N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 23770767
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
[4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 31415549
(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325

Frequently Asked Questions

What is the IUPAC name of [4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of [4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone (CID 46181226) is [4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for [4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone is CN(C)S(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1.
What is the InChIKey of [4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is UNRDIFKOWPBRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-27(2)34(31,32)29(19-21-9-5-3-6-10-21)24-15-13-23(14-16-24)26(30)28-17-18-33-25(20-28)22-11-7-4-8-12-22/h3-16,25H,17-20H2,1-2H3.
What are the key properties of [4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone?
[4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 479.60 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 46181226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).