N-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide

C22H29N3O4S — CID 51866598

IUPACN-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C22H29N3O4S/c1-2-6-22(26)24-19-9-11-20(12-10-19)30(27,28)23-13-14-25-15-16-29-21(17-25)18-7-4-3-5-8-18/h3-5,7-12,21,23H,2,6,13-17H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyQGGUQWHFLNBNNG-NRFANRHFSA-N
MW431.56 g/mol
LogP2.78
Rot. Bonds9

About N-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide

N-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide (PubChem CID 51866598) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide
PubChem CID51866598
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C22H29N3O4S/c1-2-6-22(26)24-19-9-11-20(12-10-19)30(27,28)23-13-14-25-15-16-29-21(17-25)18-7-4-3-5-8-18/h3-5,7-12,21,23H,2,6,13-17H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyQGGUQWHFLNBNNG-NRFANRHFSA-N
XLogP2.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866575
N-[4-[(2S)-2-phenylmorpholin-4-yl]sulfonylphenyl]butanamide
CID 25281428
4-tert-butyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892675
N-[2-fluoro-4-[2-(2-phenylmorpholin-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 16892734
N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16892711
4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892762
3,4-dimethoxy-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892679
3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 30851072
3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892691
N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide
CID 16892719
2,3,5,6-tetramethyl-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 51866566
N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide?
The IUPAC name of N-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide (CID 51866598) is N-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide is CCCC(=O)Nc1ccc(S(=O)(=O)NCCN2CCO[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide?
The InChIKey is QGGUQWHFLNBNNG-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-2-6-22(26)24-19-9-11-20(12-10-19)30(27,28)23-13-14-25-15-16-29-21(17-25)18-7-4-3-5-8-18/h3-5,7-12,21,23H,2,6,13-17H2,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide?
N-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide has a molecular weight of 431.56 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2R)-2-phenylmorpholin-4-yl]ethylsulfamoyl]phenyl]butanamide is sourced from PubChem (CID 51866598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).