N-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide

C16H18F3N3O4S2 — CID 68563680

IUPACN-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide
SMILESCc1c(-c2ccc(C(=O)N3CCCC(NS(C)(=O)=O)C3)s2)noc1C(F)(F)F
InChIInChI=1S/C16H18F3N3O4S2/c1-9-13(20-26-14(9)16(17,18)19)11-5-6-12(27-11)15(23)22-7-3-4-10(8-22)21-28(2,24)25/h5-6,10,21H,3-4,7-8H2,1-2H3
InChIKeyFVFBFPFYSFIHCA-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.88
Rot. Bonds4

About N-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide

N-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide (PubChem CID 68563680) has the molecular formula C16H18F3N3O4S2 and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide
PubChem CID68563680
Molecular FormulaC16H18F3N3O4S2
Molecular Weight437.47 g/mol
Exact Mass437.07
IUPAC NameN-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide
SMILESCc1c(-c2ccc(C(=O)N3CCCC(NS(C)(=O)=O)C3)s2)noc1C(F)(F)F
InChIInChI=1S/C16H18F3N3O4S2/c1-9-13(20-26-14(9)16(17,18)19)11-5-6-12(27-11)15(23)22-7-3-4-10(8-22)21-28(2,24)25/h5-6,10,21H,3-4,7-8H2,1-2H3
InChIKeyFVFBFPFYSFIHCA-UHFFFAOYSA-N
XLogP2.88
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-methylpiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 70274257
[3-(1,1-difluoroethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 70571809
(3S)-N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;(3R)-N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide
CID 158684490
[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 70570754
[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide
CID 140785425
(4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-piperidin-1-ylmethanone;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3S)-3-(prop-1-en-2-ylamino)piperidin-1-yl]methanone
CID 161044486
[(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 153168210
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;hydrochloride
CID 131729828
ethane;[3-(methylaminomethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 143770954
[3-[(2R)-1-(methylamino)propan-2-yl]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 134173634
[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 25211710
[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;hydrochloride
CID 131729825

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide (CID 68563680) is N-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide is Cc1c(-c2ccc(C(=O)N3CCCC(NS(C)(=O)=O)C3)s2)noc1C(F)(F)F.
What is the InChIKey of N-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is FVFBFPFYSFIHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O4S2/c1-9-13(20-26-14(9)16(17,18)19)11-5-6-12(27-11)15(23)22-7-3-4-10(8-22)21-28(2,24)25/h5-6,10,21H,3-4,7-8H2,1-2H3.
What are the key properties of N-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide?
N-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 437.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 68563680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).