methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate

C19H19F3N2O5S2 — CID 55876814

IUPACmethyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H19F3N2O5S2/c1-29-18(26)13-8-11-30-17(13)23-16(25)12-6-9-24(10-7-12)31(27,28)15-5-3-2-4-14(15)19(20,21)22/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,23,25)
InChIKeyVTBKEUUGZFYYLZ-UHFFFAOYSA-N
MW476.50 g/mol
LogP3.59
Rot. Bonds5

About methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate

methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 55876814) has the molecular formula C19H19F3N2O5S2 and a molecular weight of 476.50 g/mol. Its IUPAC name is methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate
PubChem CID55876814
Molecular FormulaC19H19F3N2O5S2
Molecular Weight476.50 g/mol
Exact Mass476.07
IUPAC Namemethyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H19F3N2O5S2/c1-29-18(26)13-8-11-30-17(13)23-16(25)12-6-9-24(10-7-12)31(27,28)15-5-3-2-4-14(15)19(20,21)22/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,23,25)
InChIKeyVTBKEUUGZFYYLZ-UHFFFAOYSA-N
XLogP3.59
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46665454
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24573050
N-(2,6-diethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26880378
N-(2-ethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26208452
ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
CID 41100010
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26197093
methyl 2-[4-[(2-fluorophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 8780417
N-(3-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24638911
N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 31892224
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
N-[(2-methylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27839070
N-[2-(cyclohexanecarbonylamino)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55806126

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate (CID 55876814) is methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is VTBKEUUGZFYYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O5S2/c1-29-18(26)13-8-11-30-17(13)23-16(25)12-6-9-24(10-7-12)31(27,28)15-5-3-2-4-14(15)19(20,21)22/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,23,25).
What are the key properties of methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate?
methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 476.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 55876814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).