N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

C18H19F3N2O3S2 — CID 55549165

IUPACN-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H19F3N2O3S2/c1-22(12-13-6-2-3-7-14(13)18(19,20)21)17(24)16-15(8-11-27-16)28(25,26)23-9-4-5-10-23/h2-3,6-8,11H,4-5,9-10,12H2,1H3
InChIKeyJMBUZEYTHKNMAE-UHFFFAOYSA-N
MW432.49 g/mol
LogP3.82
Rot. Bonds5

About N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55549165) has the molecular formula C18H19F3N2O3S2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID55549165
Molecular FormulaC18H19F3N2O3S2
Molecular Weight432.49 g/mol
Exact Mass432.08
IUPAC NameN-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H19F3N2O3S2/c1-22(12-13-6-2-3-7-14(13)18(19,20)21)17(24)16-15(8-11-27-16)28(25,26)23-9-4-5-10-23/h2-3,6-8,11H,4-5,9-10,12H2,1H3
InChIKeyJMBUZEYTHKNMAE-UHFFFAOYSA-N
XLogP3.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide 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-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 32886702
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 51338589
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32622153
N-(2-anilino-2-oxoethyl)-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55637487
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 43051837
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32623057
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24667638
N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037324
3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide
CID 55524372
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 134047298
N-methyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide
CID 56504820

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (CID 55549165) is N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is CN(Cc1ccccc1C(F)(F)F)C(=O)c1sccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is JMBUZEYTHKNMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S2/c1-22(12-13-6-2-3-7-14(13)18(19,20)21)17(24)16-15(8-11-27-16)28(25,26)23-9-4-5-10-23/h2-3,6-8,11H,4-5,9-10,12H2,1H3.
What are the key properties of N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55549165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).