N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C16H15F3N2OS — CID 953308

IUPACN-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccs1
InChIInChI=1S/C16H15F3N2OS/c17-16(18,19)11-5-6-13(21-7-1-2-8-21)12(10-11)20-15(22)14-4-3-9-23-14/h3-6,9-10H,1-2,7-8H2,(H,20,22)
InChIKeyCZZNQFKVQYGREB-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.62
Rot. Bonds3

About N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide

N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 953308) has the molecular formula C16H15F3N2OS and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID953308
Molecular FormulaC16H15F3N2OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC NameN-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccs1
InChIInChI=1S/C16H15F3N2OS/c17-16(18,19)11-5-6-13(21-7-1-2-8-21)12(10-11)20-15(22)14-4-3-9-23-14/h3-6,9-10H,1-2,7-8H2,(H,20,22)
InChIKeyCZZNQFKVQYGREB-UHFFFAOYSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55677816
2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4028135
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092377
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067
4-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1421990
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
2,4-dichloro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1397318
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 119828240
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 110361789

Frequently Asked Questions

What is the IUPAC name of N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 953308) is N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccs1.
What is the InChIKey of N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is CZZNQFKVQYGREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2OS/c17-16(18,19)11-5-6-13(21-7-1-2-8-21)12(10-11)20-15(22)14-4-3-9-23-14/h3-6,9-10H,1-2,7-8H2,(H,20,22).
What are the key properties of N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 4.62, 3 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-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 953308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).