4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide

C18H24F3N3O3S — CID 4193482

IUPAC4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H24F3N3O3S/c1-2-22-17(25)23-10-8-15(9-11-23)24(14-6-7-14)28(26,27)16-5-3-4-13(12-16)18(19,20)21/h3-5,12,14-15H,2,6-11H2,1H3,(H,22,25)
InChIKeyBHUUVVZOVGZMNR-UHFFFAOYSA-N
MW419.47 g/mol
LogP3.05
Rot. Bonds5

About 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide

4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide (PubChem CID 4193482) has the molecular formula C18H24F3N3O3S and a molecular weight of 419.47 g/mol. Its IUPAC name is 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide
PubChem CID4193482
Molecular FormulaC18H24F3N3O3S
Molecular Weight419.47 g/mol
Exact Mass419.15
IUPAC Name4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H24F3N3O3S/c1-2-22-17(25)23-10-8-15(9-11-23)24(14-6-7-14)28(26,27)16-5-3-4-13(12-16)18(19,20)21/h3-5,12,14-15H,2,6-11H2,1H3,(H,22,25)
InChIKeyBHUUVVZOVGZMNR-UHFFFAOYSA-N
XLogP3.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide (CID 4193482) is 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide?
The InChIKey is BHUUVVZOVGZMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3S/c1-2-22-17(25)23-10-8-15(9-11-23)24(14-6-7-14)28(26,27)16-5-3-4-13(12-16)18(19,20)21/h3-5,12,14-15H,2,6-11H2,1H3,(H,22,25).
What are the key properties of 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide?
4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide has a molecular weight of 419.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 4193482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).