N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide

C17H18F3N3O3S2 — CID 55677816

IUPACN-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C17H18F3N3O3S2/c18-17(19,20)12-5-6-14(23-7-1-2-8-23)13(10-12)22-15(24)11-21-28(25,26)16-4-3-9-27-16/h3-6,9-10,21H,1-2,7-8,11H2,(H,22,24)
InChIKeyUQRLTVCMHUUDQO-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.28
Rot. Bonds6

About N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide

N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 55677816) has the molecular formula C17H18F3N3O3S2 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID55677816
Molecular FormulaC17H18F3N3O3S2
Molecular Weight433.48 g/mol
Exact Mass433.07
IUPAC NameN-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C17H18F3N3O3S2/c18-17(19,20)12-5-6-14(23-7-1-2-8-23)13(10-12)22-15(24)11-21-28(25,26)16-4-3-9-27-16/h3-6,9-10,21H,1-2,7-8,11H2,(H,22,24)
InChIKeyUQRLTVCMHUUDQO-UHFFFAOYSA-N
XLogP3.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide (CID 55677816) is N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide is O=C(CNS(=O)(=O)c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCCC1.
What is the InChIKey of N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is UQRLTVCMHUUDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3S2/c18-17(19,20)12-5-6-14(23-7-1-2-8-23)13(10-12)22-15(24)11-21-28(25,26)16-4-3-9-27-16/h3-6,9-10,21H,1-2,7-8,11H2,(H,22,24).
What are the key properties of N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 433.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 55677816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).