N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide

C18H21F2NO2S — CID 55652795

IUPACN-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NCC(O)c2ccc(F)c(F)c2)cc1CC
InChIInChI=1S/C18H21F2NO2S/c1-3-5-16-11(4-2)9-17(24-16)18(23)21-10-15(22)12-6-7-13(19)14(20)8-12/h6-9,15,22H,3-5,10H2,1-2H3,(H,21,23)
InChIKeyPJKMFYPLYUQBCZ-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.00
Rot. Bonds7

About N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide

N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide (PubChem CID 55652795) has the molecular formula C18H21F2NO2S and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide
PubChem CID55652795
Molecular FormulaC18H21F2NO2S
Molecular Weight353.43 g/mol
Exact Mass353.13
IUPAC NameN-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)NCC(O)c2ccc(F)c(F)c2)cc1CC
InChIInChI=1S/C18H21F2NO2S/c1-3-5-16-11(4-2)9-17(24-16)18(23)21-10-15(22)12-6-7-13(19)14(20)8-12/h6-9,15,22H,3-5,10H2,1-2H3,(H,21,23)
InChIKeyPJKMFYPLYUQBCZ-UHFFFAOYSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide (CID 55652795) is N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)NCC(O)c2ccc(F)c(F)c2)cc1CC.
What is the InChIKey of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide?
The InChIKey is PJKMFYPLYUQBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO2S/c1-3-5-16-11(4-2)9-17(24-16)18(23)21-10-15(22)12-6-7-13(19)14(20)8-12/h6-9,15,22H,3-5,10H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide?
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 55652795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).