N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide

C15H17FN2OS — CID 42930436

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccsc1)c1cccc(F)c1
InChIInChI=1S/C15H17FN2OS/c1-18(2)14(11-4-3-5-13(16)8-11)9-17-15(19)12-6-7-20-10-12/h3-8,10,14H,9H2,1-2H3,(H,17,19)
InChIKeyMPYWSWQCSFFAML-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide (PubChem CID 42930436) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide
PubChem CID42930436
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccsc1)c1cccc(F)c1
InChIInChI=1S/C15H17FN2OS/c1-18(2)14(11-4-3-5-13(16)8-11)9-17-15(19)12-6-7-20-10-12/h3-8,10,14H,9H2,1-2H3,(H,17,19)
InChIKeyMPYWSWQCSFFAML-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide (CID 42930436) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide is CN(C)C(CNC(=O)c1ccsc1)c1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide?
The InChIKey is MPYWSWQCSFFAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-18(2)14(11-4-3-5-13(16)8-11)9-17-15(19)12-6-7-20-10-12/h3-8,10,14H,9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 42930436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).