N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide

C13H11F2NOS — CID 62295549

IUPACN-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1cccs1
InChIInChI=1S/C13H11F2NOS/c14-10-6-9(7-11(15)8-10)3-4-16-13(17)12-2-1-5-18-12/h1-2,5-8H,3-4H2,(H,16,17)
InChIKeyFPKBIKHVNKIRQK-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.00
Rot. Bonds4

About N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide

N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 62295549) has the molecular formula C13H11F2NOS and a molecular weight of 267.30 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID62295549
Molecular FormulaC13H11F2NOS
Molecular Weight267.30 g/mol
Exact Mass267.05
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1cccs1
InChIInChI=1S/C13H11F2NOS/c14-10-6-9(7-11(15)8-10)3-4-16-13(17)12-2-1-5-18-12/h1-2,5-8H,3-4H2,(H,16,17)
InChIKeyFPKBIKHVNKIRQK-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3,5-difluorophenyl)thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide (CID 62295549) is N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide is O=C(NCCc1cc(F)cc(F)c1)c1cccs1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is FPKBIKHVNKIRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NOS/c14-10-6-9(7-11(15)8-10)3-4-16-13(17)12-2-1-5-18-12/h1-2,5-8H,3-4H2,(H,16,17).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide?
N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 62295549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).