N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C19H23F3N4O3S2 — CID 26197093

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCCCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C19H23F3N4O3S2/c1-2-3-8-16-24-25-18(30-16)23-17(27)13-9-11-26(12-10-13)31(28,29)15-7-5-4-6-14(15)19(20,21)22/h4-7,13H,2-3,8-12H2,1H3,(H,23,25,27)
InChIKeyGIZDGPQOAVUTEN-UHFFFAOYSA-N
MW476.55 g/mol
LogP3.94
Rot. Bonds7

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 26197093) has the molecular formula C19H23F3N4O3S2 and a molecular weight of 476.55 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID26197093
Molecular FormulaC19H23F3N4O3S2
Molecular Weight476.55 g/mol
Exact Mass476.12
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCCCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C19H23F3N4O3S2/c1-2-3-8-16-24-25-18(30-16)23-17(27)13-9-11-26(12-10-13)31(28,29)15-7-5-4-6-14(15)19(20,21)22/h4-7,13H,2-3,8-12H2,1H3,(H,23,25,27)
InChIKeyGIZDGPQOAVUTEN-UHFFFAOYSA-N
XLogP3.94
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26208452
N-(2,6-diethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26880378
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 31289611
1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27676149
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-(cyclohexanecarbonylamino)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55806126
methyl 2-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate
CID 55876814
N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 31892224
N-[(2-methylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27839070
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26894064
N-(3-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 26197093) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is CCCCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is GIZDGPQOAVUTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3S2/c1-2-3-8-16-24-25-18(30-16)23-17(27)13-9-11-26(12-10-13)31(28,29)15-7-5-4-6-14(15)19(20,21)22/h4-7,13H,2-3,8-12H2,1H3,(H,23,25,27).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 476.55 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26197093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).