N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide

C17H19F3N4O3S2 — CID 27809860

IUPACN-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H19F3N4O3S2/c1-22(29(26,27)16-3-2-10-28-16)12-15(25)24-8-6-23(7-9-24)14-5-4-13(11-21-14)17(18,19)20/h2-5,10-11H,6-9,12H2,1H3
InChIKeyXWULRCQKIMRDGF-UHFFFAOYSA-N
MW448.49 g/mol
LogP2.13
Rot. Bonds5

About N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide

N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 27809860) has the molecular formula C17H19F3N4O3S2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID27809860
Molecular FormulaC17H19F3N4O3S2
Molecular Weight448.49 g/mol
Exact Mass448.09
IUPAC NameN-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H19F3N4O3S2/c1-22(29(26,27)16-3-2-10-28-16)12-15(25)24-8-6-23(7-9-24)14-5-4-13(11-21-14)17(18,19)20/h2-5,10-11H,6-9,12H2,1H3
InChIKeyXWULRCQKIMRDGF-UHFFFAOYSA-N
XLogP2.13
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide (CID 27809860) is N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide is CN(CC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is XWULRCQKIMRDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3S2/c1-22(29(26,27)16-3-2-10-28-16)12-15(25)24-8-6-23(7-9-24)14-5-4-13(11-21-14)17(18,19)20/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 448.49 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 27809860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).