N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide

C18H19F3N2OS — CID 16931556

IUPACN-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(c1ccsc1)N1CCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H19F3N2OS/c19-18(20,21)15-6-2-1-5-14(15)17(24)22-11-16(13-7-10-25-12-13)23-8-3-4-9-23/h1-2,5-7,10,12,16H,3-4,8-9,11H2,(H,22,24)
InChIKeyWNWIUOAXCMPMNI-UHFFFAOYSA-N
MW368.42 g/mol
LogP4.33
Rot. Bonds5

About N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide

N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide (PubChem CID 16931556) has the molecular formula C18H19F3N2OS and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide
PubChem CID16931556
Molecular FormulaC18H19F3N2OS
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC NameN-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(c1ccsc1)N1CCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H19F3N2OS/c19-18(20,21)15-6-2-1-5-14(15)17(24)22-11-16(13-7-10-25-12-13)23-8-3-4-9-23/h1-2,5-7,10,12,16H,3-4,8-9,11H2,(H,22,24)
InChIKeyWNWIUOAXCMPMNI-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide 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-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide (CID 16931556) is N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide is O=C(NCC(c1ccsc1)N1CCCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide?
The InChIKey is WNWIUOAXCMPMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2OS/c19-18(20,21)15-6-2-1-5-14(15)17(24)22-11-16(13-7-10-25-12-13)23-8-3-4-9-23/h1-2,5-7,10,12,16H,3-4,8-9,11H2,(H,22,24).
What are the key properties of N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide?
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide has a molecular weight of 368.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 16931556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).