N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

C20H23F3N4O5S — CID 32587077

IUPACN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C20H23F3N4O5S/c21-20(22,23)32-16-1-3-17(4-2-16)33(29,30)26-8-6-19(28)25-14-15-5-7-24-18(13-15)27-9-11-31-12-10-27/h1-5,7,13,26H,6,8-12,14H2,(H,25,28)
InChIKeyGVSRNZNMUZZTSL-UHFFFAOYSA-N
MW488.49 g/mol
LogP1.80
Rot. Bonds9

About N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 32587077) has the molecular formula C20H23F3N4O5S and a molecular weight of 488.49 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
PubChem CID32587077
Molecular FormulaC20H23F3N4O5S
Molecular Weight488.49 g/mol
Exact Mass488.13
IUPAC NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C20H23F3N4O5S/c21-20(22,23)32-16-1-3-17(4-2-16)33(29,30)26-8-6-19(28)25-14-15-5-7-24-18(13-15)27-9-11-31-12-10-27/h1-5,7,13,26H,6,8-12,14H2,(H,25,28)
InChIKeyGVSRNZNMUZZTSL-UHFFFAOYSA-N
XLogP1.80
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 32586659
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
4-[(2-morpholin-4-yl-4-pyridinyl)methylsulfamoyl]benzamide
CID 55598355
N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577873
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55587783
2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 32584361
N-[[4-(ethoxymethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 30874185
(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 94068233
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55825597
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 55619928
4-(2,4-dichlorophenoxy)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585405

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (CID 32587077) is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCc1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is GVSRNZNMUZZTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O5S/c21-20(22,23)32-16-1-3-17(4-2-16)33(29,30)26-8-6-19(28)25-14-15-5-7-24-18(13-15)27-9-11-31-12-10-27/h1-5,7,13,26H,6,8-12,14H2,(H,25,28).
What are the key properties of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 488.49 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 32587077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).