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

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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).