N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C19H28F3N3O4S — CID 55720364

IUPACN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCN(CCCNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(F)(F)F
InChIInChI=1S/C19H28F3N3O4S/c1-24(15-19(20,21)22)10-2-9-23-18(26)8-5-16-3-6-17(7-4-16)30(27,28)25-11-13-29-14-12-25/h3-4,6-7H,2,5,8-15H2,1H3,(H,23,26)
InChIKeyPHWYJEKRNLWGPC-UHFFFAOYSA-N
MW451.51 g/mol
LogP1.64
Rot. Bonds10

About N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 55720364) has the molecular formula C19H28F3N3O4S and a molecular weight of 451.51 g/mol. Its IUPAC name is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID55720364
Molecular FormulaC19H28F3N3O4S
Molecular Weight451.51 g/mol
Exact Mass451.18
IUPAC NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCN(CCCNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(F)(F)F
InChIInChI=1S/C19H28F3N3O4S/c1-24(15-19(20,21)22)10-2-9-23-18(26)8-5-16-3-6-17(7-4-16)30(27,28)25-11-13-29-14-12-25/h3-4,6-7H,2,5,8-15H2,1H3,(H,23,26)
InChIKeyPHWYJEKRNLWGPC-UHFFFAOYSA-N
XLogP1.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55656769
N-[3-(N-ethylanilino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24550613
N-[3-(4-methoxyphenyl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55921189
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-(4-morpholin-4-ylbutyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55742177
N-(3-benzylsulfonylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55842190
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55723412
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 39966777
N-[3-(furan-2-ylmethoxy)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55461553
3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 55635058
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55705597
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 55712353

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 55720364) is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is CN(CCCNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(F)(F)F.
What is the InChIKey of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is PHWYJEKRNLWGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O4S/c1-24(15-19(20,21)22)10-2-9-23-18(26)8-5-16-3-6-17(7-4-16)30(27,28)25-11-13-29-14-12-25/h3-4,6-7H,2,5,8-15H2,1H3,(H,23,26).
What are the key properties of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 451.51 g/mol, XLogP of 1.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55720364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).