N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide

C19H21F3N2OS — CID 19093816

IUPACN-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCC1Cc2ccsc2C(C)N1CCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2OS/c1-12-11-15-7-10-26-17(15)13(2)24(12)9-8-23-18(25)14-3-5-16(6-4-14)19(20,21)22/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,23,25)
InChIKeyKCZUKTBZAGPPMB-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.50
Rot. Bonds4

About N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide

N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 19093816) has the molecular formula C19H21F3N2OS and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID19093816
Molecular FormulaC19H21F3N2OS
Molecular Weight382.45 g/mol
Exact Mass382.13
IUPAC NameN-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESCC1Cc2ccsc2C(C)N1CCNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2OS/c1-12-11-15-7-10-26-17(15)13(2)24(12)9-8-23-18(25)14-3-5-16(6-4-14)19(20,21)22/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,23,25)
InChIKeyKCZUKTBZAGPPMB-UHFFFAOYSA-N
XLogP4.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(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-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide (CID 19093816) is N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide is CC1Cc2ccsc2C(C)N1CCNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is KCZUKTBZAGPPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2OS/c1-12-11-15-7-10-26-17(15)13(2)24(12)9-8-23-18(25)14-3-5-16(6-4-14)19(20,21)22/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide?
N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 382.45 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 19093816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).