1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine

C23H25F3N2O4S — CID 90691905

IUPAC1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
SMILESO=S(=O)(c1ccc(OCC2CC2)cc1)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H25F3N2O4S/c24-23(25,26)19-3-1-2-18(14-19)16-32-27-20-10-12-28(13-11-20)33(29,30)22-8-6-21(7-9-22)31-15-17-4-5-17/h1-3,6-10,14,17,27H,4-5,11-13,15-16H2
InChIKeyZICISLOFUPJWPU-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.49
Rot. Bonds9

About 1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine

1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 90691905) has the molecular formula C23H25F3N2O4S and a molecular weight of 482.52 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
PubChem CID90691905
Molecular FormulaC23H25F3N2O4S
Molecular Weight482.52 g/mol
Exact Mass482.15
IUPAC Name1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
SMILESO=S(=O)(c1ccc(OCC2CC2)cc1)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H25F3N2O4S/c24-23(25,26)19-3-1-2-18(14-19)16-32-27-20-10-12-28(13-11-20)33(29,30)22-8-6-21(7-9-22)31-15-17-4-5-17/h1-3,6-10,14,17,27H,4-5,11-13,15-16H2
InChIKeyZICISLOFUPJWPU-UHFFFAOYSA-N
XLogP4.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-Ethoxybenzenesulfonyl)piperidin-4-one O-(3-trifluoromethylbenzyl)oxime
CID 57992677
1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine
CID 57992838
1-(4-propoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine
CID 57992896
1-(4-methoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 90703266
3-[2-hydroxy-1-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyethyl]benzonitrile
CID 90784697
N-(piperidin-4-ylmethoxy)-1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-amine
CID 90832721
3-[[[1-[4-(2-fluoroethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]benzonitrile
CID 90842423
2-[[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]benzonitrile
CID 90859915
1-[2-(2-methoxyethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 90930725
1-[4-(trifluoromethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 90942387
1-(4-ethoxyphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 90949589
3-[Cyclopropylidene-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxyamino]methyl]benzonitrile
CID 91020911

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine (CID 90691905) is 1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine is O=S(=O)(c1ccc(OCC2CC2)cc1)N1CC=C(NOCc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is ZICISLOFUPJWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O4S/c24-23(25,26)19-3-1-2-18(14-19)16-32-27-20-10-12-28(13-11-20)33(29,30)22-8-6-21(7-9-22)31-15-17-4-5-17/h1-3,6-10,14,17,27H,4-5,11-13,15-16H2.
What are the key properties of 1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine?
1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 482.52 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)phenyl]sulfonyl-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 90691905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).