N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide

C16H17F4N3O3S — CID 558866

IUPACN-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide
SMILESCOC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F
InChIInChI=1S/C16H17F4N3O3S/c1-9-10(8-21)12(22-14(25)15(17,26-2)16(18,19)20)27-11(9)13(24)23-6-4-3-5-7-23/h3-7H2,1-2H3,(H,22,25)
InChIKeyUKEKDXCEMCJARX-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.37
Rot. Bonds4

About N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide

N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide (PubChem CID 558866) has the molecular formula C16H17F4N3O3S and a molecular weight of 407.39 g/mol. Its IUPAC name is N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide.

Molecular Properties

Compound NameN-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide
PubChem CID558866
Molecular FormulaC16H17F4N3O3S
Molecular Weight407.39 g/mol
Exact Mass407.09
IUPAC NameN-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide
SMILESCOC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F
InChIInChI=1S/C16H17F4N3O3S/c1-9-10(8-21)12(22-14(25)15(17,26-2)16(18,19)20)27-11(9)13(24)23-6-4-3-5-7-23/h3-7H2,1-2H3,(H,22,25)
InChIKeyUKEKDXCEMCJARX-UHFFFAOYSA-N
XLogP3.37
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide with MolForge

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Related Compounds

2-Chloro-N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-acetamide
CID 828995
N-[3-Cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-isobutyramide
CID 828996
N-[3-Cyano-4-methyl-5-(piperidine-1-carbonyl)-thiophen-2-yl]-isobutyramide
CID 654813
Ethyl {[3-cyano-4-methyl-5-(morpholin-4-ylcarbonyl)thien-2-yl]amino}(oxo)acetate
CID 3141694
N-[5-(N,N-diethylcarbamoyl)-3-cyano-4-methyl(2-thienyl)]-2-methylpropanamide
CID 829009
Ethyl 2-[[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]amino]-2-oxoacetate
CID 3141652
N-[3-cyano-4-methyl-5-(piperidylcarbonyl)(2-thienyl)]cyclopropylcarboxamide
CID 650633
N-[3-Cyano-4-methyl-5-(piperidine-1-carbonyl)-thiophen-2-yl]-propionamide
CID 655573
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 1826749
(2R)-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide
CID 1825910
(2S)-N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide
CID 1825911
4-cyano-N,N-diethyl-3-methyl-5-[(trifluoroacetyl)amino]thiophene-2-carboxamide
CID 3294410

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide?
The IUPAC name of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide (CID 558866) is N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide.
What is the SMILES notation for N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide?
The canonical SMILES for N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide is COC(F)(C(=O)Nc1sc(C(=O)N2CCCCC2)c(C)c1C#N)C(F)(F)F.
What is the InChIKey of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide?
The InChIKey is UKEKDXCEMCJARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N3O3S/c1-9-10(8-21)12(22-14(25)15(17,26-2)16(18,19)20)27-11(9)13(24)23-6-4-3-5-7-23/h3-7H2,1-2H3,(H,22,25).
What are the key properties of N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide?
N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide has a molecular weight of 407.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-methyl-5-(piperidine-1-carbonyl)thiophen-2-yl]-2,3,3,3-tetrafluoro-2-methoxypropanamide is sourced from PubChem (CID 558866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).