N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide

C19H20F3N3O4S2 — CID 55747131

IUPACN-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H20F3N3O4S2/c1-23(31(28,29)17-6-3-11-30-17)13-16(26)24-7-9-25(10-8-24)18(27)14-4-2-5-15(12-14)19(20,21)22/h2-6,11-12H,7-10,13H2,1H3
InChIKeyVBFIVIGBFIETFX-UHFFFAOYSA-N
MW475.51 g/mol
LogP2.37
Rot. Bonds5

About N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide

N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 55747131) has the molecular formula C19H20F3N3O4S2 and a molecular weight of 475.51 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID55747131
Molecular FormulaC19H20F3N3O4S2
Molecular Weight475.51 g/mol
Exact Mass475.08
IUPAC NameN-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H20F3N3O4S2/c1-23(31(28,29)17-6-3-11-30-17)13-16(26)24-7-9-25(10-8-24)18(27)14-4-2-5-15(12-14)19(20,21)22/h2-6,11-12H,7-10,13H2,1H3
InChIKeyVBFIVIGBFIETFX-UHFFFAOYSA-N
XLogP2.37
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 55586201
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N-methyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 27809860
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CID 31843189
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N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
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N-methyl-N-[2-oxo-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 9169589
N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 86993491
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide (CID 55747131) is N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide is CN(CC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is VBFIVIGBFIETFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O4S2/c1-23(31(28,29)17-6-3-11-30-17)13-16(26)24-7-9-25(10-8-24)18(27)14-4-2-5-15(12-14)19(20,21)22/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 475.51 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55747131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).