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

C26H28FN3O4S — CID 46181227

IUPAC[4-[benzyl(dimethylsulfamoyl)amino]-2-fluorophenyl]-(2-phenylmorpholin-4-yl)methanone
SMILESCN(C)S(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCOC(c3ccccc3)C2)c(F)c1
InChIInChI=1S/C26H28FN3O4S/c1-28(2)35(32,33)30(18-20-9-5-3-6-10-20)22-13-14-23(24(27)17-22)26(31)29-15-16-34-25(19-29)21-11-7-4-8-12-21/h3-14,17,25H,15-16,18-19H2,1-2H3
InChIKeyKUVOCNJHGKHSCX-UHFFFAOYSA-N
MW497.59 g/mol
LogP3.85
Rot. Bonds7

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

[4-[benzyl(dimethylsulfamoyl)amino]-2-fluorophenyl]-(2-phenylmorpholin-4-yl)methanone (PubChem CID 46181227) has the molecular formula C26H28FN3O4S and a molecular weight of 497.59 g/mol. Its IUPAC name is [4-[benzyl(dimethylsulfamoyl)amino]-2-fluorophenyl]-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-[benzyl(dimethylsulfamoyl)amino]-2-fluorophenyl]-(2-phenylmorpholin-4-yl)methanone
PubChem CID46181227
Molecular FormulaC26H28FN3O4S
Molecular Weight497.59 g/mol
Exact Mass497.18
IUPAC Name[4-[benzyl(dimethylsulfamoyl)amino]-2-fluorophenyl]-(2-phenylmorpholin-4-yl)methanone
SMILESCN(C)S(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCOC(c3ccccc3)C2)c(F)c1
InChIInChI=1S/C26H28FN3O4S/c1-28(2)35(32,33)30(18-20-9-5-3-6-10-20)22-13-14-23(24(27)17-22)26(31)29-15-16-34-25(19-29)21-11-7-4-8-12-21/h3-14,17,25H,15-16,18-19H2,1-2H3
InChIKeyKUVOCNJHGKHSCX-UHFFFAOYSA-N
XLogP3.85
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[benzyl(dimethylsulfamoyl)amino]phenyl]-(2-phenylmorpholin-4-yl)methanone
CID 46181226
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354508
(2-fluorophenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327171
benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate
CID 157499451
[4-(4-aminopiperidin-1-yl)-2-chlorophenyl]-(2-phenylmorpholin-4-yl)methanone;ethane
CID 156874711
N-[4-hydroxy-3-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl]acetamide
CID 97028515
4-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 31415081
(2,5-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 84544929
(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 79783331
(4-methylphenyl)-[2-[(2R)-2-phenylmorpholine-4-carbonyl]phenyl]methanone
CID 35271482
(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 110629876

Frequently Asked Questions

What is the IUPAC name of [4-[benzyl(dimethylsulfamoyl)amino]-2-fluorophenyl]-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of [4-[benzyl(dimethylsulfamoyl)amino]-2-fluorophenyl]-(2-phenylmorpholin-4-yl)methanone (CID 46181227) is [4-[benzyl(dimethylsulfamoyl)amino]-2-fluorophenyl]-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-[benzyl(dimethylsulfamoyl)amino]-2-fluorophenyl]-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for [4-[benzyl(dimethylsulfamoyl)amino]-2-fluorophenyl]-(2-phenylmorpholin-4-yl)methanone is CN(C)S(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCOC(c3ccccc3)C2)c(F)c1.
What is the InChIKey of [4-[benzyl(dimethylsulfamoyl)amino]-2-fluorophenyl]-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is KUVOCNJHGKHSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4S/c1-28(2)35(32,33)30(18-20-9-5-3-6-10-20)22-13-14-23(24(27)17-22)26(31)29-15-16-34-25(19-29)21-11-7-4-8-12-21/h3-14,17,25H,15-16,18-19H2,1-2H3.
What are the key properties of [4-[benzyl(dimethylsulfamoyl)amino]-2-fluorophenyl]-(2-phenylmorpholin-4-yl)methanone?
[4-[benzyl(dimethylsulfamoyl)amino]-2-fluorophenyl]-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 497.59 g/mol, XLogP of 3.85, 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]-2-fluorophenyl]-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 46181227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).