N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide

C12H17F2NO2S — CID 113462664

IUPACN-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NCC(F)(F)CO)sc1C
InChIInChI=1S/C12H17F2NO2S/c1-3-4-9-5-10(18-8(9)2)11(17)15-6-12(13,14)7-16/h5,16H,3-4,6-7H2,1-2H3,(H,15,17)
InChIKeyFURALTQMZBECOC-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.37
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 113462664) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID113462664
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NCC(F)(F)CO)sc1C
InChIInChI=1S/C12H17F2NO2S/c1-3-4-9-5-10(18-8(9)2)11(17)15-6-12(13,14)7-16/h5,16H,3-4,6-7H2,1-2H3,(H,15,17)
InChIKeyFURALTQMZBECOC-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide (CID 113462664) is N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)NCC(F)(F)CO)sc1C.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is FURALTQMZBECOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c1-3-4-9-5-10(18-8(9)2)11(17)15-6-12(13,14)7-16/h5,16H,3-4,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 277.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 113462664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).