N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide

C19H21F3N2OS — CID 4175603

IUPACN-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1ccc(C(F)(F)F)cc1)C(c1cccs1)N1CCCC1
InChIInChI=1S/C19H21F3N2OS/c1-13(17(16-5-4-12-26-16)24-10-2-3-11-24)23-18(25)14-6-8-15(9-7-14)19(20,21)22/h4-9,12-13,17H,2-3,10-11H2,1H3,(H,23,25)
InChIKeyOBFOYEVPUNNBPG-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.72
Rot. Bonds5

About N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide

N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 4175603) has the molecular formula C19H21F3N2OS and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID4175603
Molecular FormulaC19H21F3N2OS
Molecular Weight382.45 g/mol
Exact Mass382.13
IUPAC NameN-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1ccc(C(F)(F)F)cc1)C(c1cccs1)N1CCCC1
InChIInChI=1S/C19H21F3N2OS/c1-13(17(16-5-4-12-26-16)24-10-2-3-11-24)23-18(25)14-6-8-15(9-7-14)19(20,21)22/h4-9,12-13,17H,2-3,10-11H2,1H3,(H,23,25)
InChIKeyOBFOYEVPUNNBPG-UHFFFAOYSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide (CID 4175603) is N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide is CC(NC(=O)c1ccc(C(F)(F)F)cc1)C(c1cccs1)N1CCCC1.
What is the InChIKey of N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is OBFOYEVPUNNBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2OS/c1-13(17(16-5-4-12-26-16)24-10-2-3-11-24)23-18(25)14-6-8-15(9-7-14)19(20,21)22/h4-9,12-13,17H,2-3,10-11H2,1H3,(H,23,25).
What are the key properties of N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide?
N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 382.45 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4175603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).