N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide

C11H12F3N3O2S3 — CID 133387653

IUPACN-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide
SMILESCN(CCNc1nc(C(F)(F)F)cs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C11H12F3N3O2S3/c1-17(22(18,19)9-3-2-6-20-9)5-4-15-10-16-8(7-21-10)11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyKNDLKSMZXYSGNL-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.96
Rot. Bonds6

About N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide

N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide (PubChem CID 133387653) has the molecular formula C11H12F3N3O2S3 and a molecular weight of 371.43 g/mol. Its IUPAC name is N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide
PubChem CID133387653
Molecular FormulaC11H12F3N3O2S3
Molecular Weight371.43 g/mol
Exact Mass371.00
IUPAC NameN-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide
SMILESCN(CCNc1nc(C(F)(F)F)cs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C11H12F3N3O2S3/c1-17(22(18,19)9-3-2-6-20-9)5-4-15-10-16-8(7-21-10)11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyKNDLKSMZXYSGNL-UHFFFAOYSA-N
XLogP2.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 71984704
N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133387661
N-methyl-N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]thiophene-2-sulfonamide
CID 133387638
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387741
N-[2-[[3-[(4-fluoro-3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 66878799
N-methyl-N-[2-[[3-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]thiophene-2-sulfonamide
CID 66878303
N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide
CID 120971740
N-[2-[(1-chloroisoquinolin-3-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387627
N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 137265087
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide
CID 133387707
N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide
CID 133387573

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide (CID 133387653) is N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide is CN(CCNc1nc(C(F)(F)F)cs1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is KNDLKSMZXYSGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2S3/c1-17(22(18,19)9-3-2-6-20-9)5-4-15-10-16-8(7-21-10)11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide?
N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 371.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 133387653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).