2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide

C20H22ClF3N2OS — CID 11597181

IUPAC2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)C1(C(NC(=O)c2cccc(C(F)(F)F)c2Cl)c2cccs2)CCCC1
InChIInChI=1S/C20H22ClF3N2OS/c1-26(2)19(10-3-4-11-19)17(15-9-6-12-28-15)25-18(27)13-7-5-8-14(16(13)21)20(22,23)24/h5-9,12,17H,3-4,10-11H2,1-2H3,(H,25,27)
InChIKeyGTOFWNJEIQYSRT-UHFFFAOYSA-N
MW430.92 g/mol
LogP5.77
Rot. Bonds5

About 2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide

2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide (PubChem CID 11597181) has the molecular formula C20H22ClF3N2OS and a molecular weight of 430.92 g/mol. Its IUPAC name is 2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide
PubChem CID11597181
Molecular FormulaC20H22ClF3N2OS
Molecular Weight430.92 g/mol
Exact Mass430.11
IUPAC Name2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)C1(C(NC(=O)c2cccc(C(F)(F)F)c2Cl)c2cccs2)CCCC1
InChIInChI=1S/C20H22ClF3N2OS/c1-26(2)19(10-3-4-11-19)17(15-9-6-12-28-15)25-18(27)13-7-5-8-14(16(13)21)20(22,23)24/h5-9,12,17H,3-4,10-11H2,1-2H3,(H,25,27)
InChIKeyGTOFWNJEIQYSRT-UHFFFAOYSA-N
XLogP5.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.92
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide (CID 11597181) is 2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide is CN(C)C1(C(NC(=O)c2cccc(C(F)(F)F)c2Cl)c2cccs2)CCCC1.
What is the InChIKey of 2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is GTOFWNJEIQYSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF3N2OS/c1-26(2)19(10-3-4-11-19)17(15-9-6-12-28-15)25-18(27)13-7-5-8-14(16(13)21)20(22,23)24/h5-9,12,17H,3-4,10-11H2,1-2H3,(H,25,27).
What are the key properties of 2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide?
2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 430.92 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 11597181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).