N-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C18H27F3N2O3S2 — CID 56530845

IUPACN-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N(CC(C)(C)C)CC(F)(F)F)C2)s1
InChIInChI=1S/C18H27F3N2O3S2/c1-13-7-8-15(27-13)28(25,26)23-9-5-6-14(10-23)16(24)22(11-17(2,3)4)12-18(19,20)21/h7-8,14H,5-6,9-12H2,1-4H3
InChIKeyGEHBHMOYMTUDEZ-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.89
Rot. Bonds5

About N-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 56530845) has the molecular formula C18H27F3N2O3S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID56530845
Molecular FormulaC18H27F3N2O3S2
Molecular Weight440.55 g/mol
Exact Mass440.14
IUPAC NameN-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N(CC(C)(C)C)CC(F)(F)F)C2)s1
InChIInChI=1S/C18H27F3N2O3S2/c1-13-7-8-15(27-13)28(25,26)23-9-5-6-14(10-23)16(24)22(11-17(2,3)4)12-18(19,20)21/h7-8,14H,5-6,9-12H2,1-4H3
InChIKeyGEHBHMOYMTUDEZ-UHFFFAOYSA-N
XLogP3.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 56530845) is N-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N(CC(C)(C)C)CC(F)(F)F)C2)s1.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is GEHBHMOYMTUDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2O3S2/c1-13-7-8-15(27-13)28(25,26)23-9-5-6-14(10-23)16(24)22(11-17(2,3)4)12-18(19,20)21/h7-8,14H,5-6,9-12H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56530845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).