N-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide

C18H15F7N4OS — CID 177192487

IUPACN-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide
SMILESNSc1cc(NC(=O)C2CC(F)(F)CCN2c2ccc(F)c(F)c2C(F)(F)F)ccn1
InChIInChI=1S/C18H15F7N4OS/c19-10-1-2-11(14(15(10)20)18(23,24)25)29-6-4-17(21,22)8-12(29)16(30)28-9-3-5-27-13(7-9)31-26/h1-3,5,7,12H,4,6,8,26H2,(H,27,28,30)
InChIKeyRFHRKGKBYXLNMI-UHFFFAOYSA-N
MW468.40 g/mol
LogP4.59
Rot. Bonds4

About N-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide

N-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide (PubChem CID 177192487) has the molecular formula C18H15F7N4OS and a molecular weight of 468.40 g/mol. Its IUPAC name is N-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide
PubChem CID177192487
Molecular FormulaC18H15F7N4OS
Molecular Weight468.40 g/mol
Exact Mass468.09
IUPAC NameN-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide
SMILESNSc1cc(NC(=O)C2CC(F)(F)CCN2c2ccc(F)c(F)c2C(F)(F)F)ccn1
InChIInChI=1S/C18H15F7N4OS/c19-10-1-2-11(14(15(10)20)18(23,24)25)29-6-4-17(21,22)8-12(29)16(30)28-9-3-5-27-13(7-9)31-26/h1-3,5,7,12H,4,6,8,26H2,(H,27,28,30)
InChIKeyRFHRKGKBYXLNMI-UHFFFAOYSA-N
XLogP4.59
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.40
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide 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

N-(3-aminosulfanylphenyl)-1-[3,4-difluoro-2-(trifluoromethoxy)phenyl]-4,4-difluoropiperidine-2-carboxamide
CID 177192896
N-(2-aminosulfanyl-4-pyridinyl)-1-(3,4-difluoro-2-methoxyphenyl)-4-methoxy-4-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 178057472
N-(2-aminosulfanyl-4-pyridinyl)-1-(3,4-difluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine-2-carboxamide
CID 177192512
6-(3,4-difluoro-2-methoxyphenyl)-2,2-difluoro-N-(2-methylsulfanyl-4-pyridinyl)-6-azaspiro[3.4]octane-5-carboxamide
CID 178057545
6-(3,4-difluoro-2-methoxyphenyl)-2,2-difluoro-N-(2-methylsulfanyl-4-pyridinyl)-6-azaspiro[3.4]octane-5-carboxamide;methanol
CID 178057556
1-(2-cyanophenyl)-4,4-difluoro-N-(2-sulfamoyl-4-pyridinyl)piperidine-2-carboxamide
CID 177192959
cis-(1R,2S)-N-(2-aminosulfanyl-4-pyridinyl)-5,5-difluoro-2-(oxan-4-yl)cyclohexane-1-carboxamide
CID 178021502
(1S)-N-(2-aminosulfanyl-4-pyridinyl)-3,3-difluorocyclohexane-1-carboxamide;1,2-dichlorobenzene
CID 177192771
cis-(1R,2S)-N-(2-aminosulfanyl-4-pyridinyl)-2-(4,4-difluoro-3-methylcyclohexyl)-5,5-difluorocyclohexane-1-carboxamide
CID 178021144
(1R)-N-(2-aminosulfanyl-4-pyridinyl)-5,5-difluoro-2-[(1R,3R)-3-methylcyclohexyl]cyclohexane-1-carboxamide
CID 178021291
trans-(1R,2R)-N-(2-aminosulfanyl-4-pyridinyl)-2-(cyclohexen-1-yl)-5,5-difluorocyclohexane-1-carboxamide
CID 178021397
N-(2-aminosulfanyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenyl)cyclohexane-1-carboxamide
CID 177192159

Frequently Asked Questions

What is the IUPAC name of N-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide?
The IUPAC name of N-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide (CID 177192487) is N-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide.
What is the SMILES notation for N-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide?
The canonical SMILES for N-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide is NSc1cc(NC(=O)C2CC(F)(F)CCN2c2ccc(F)c(F)c2C(F)(F)F)ccn1.
What is the InChIKey of N-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide?
The InChIKey is RFHRKGKBYXLNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F7N4OS/c19-10-1-2-11(14(15(10)20)18(23,24)25)29-6-4-17(21,22)8-12(29)16(30)28-9-3-5-27-13(7-9)31-26/h1-3,5,7,12H,4,6,8,26H2,(H,27,28,30).
What are the key properties of N-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide?
N-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide has a molecular weight of 468.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminosulfanyl-4-pyridinyl)-1-[3,4-difluoro-2-(trifluoromethyl)phenyl]-4,4-difluoropiperidine-2-carboxamide is sourced from PubChem (CID 177192487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).