N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide

C12H12F2N2O2S — CID 104857152

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(NCC(F)(F)CO)c1sccc1-n1cccc1
InChIInChI=1S/C12H12F2N2O2S/c13-12(14,8-17)7-15-11(18)10-9(3-6-19-10)16-4-1-2-5-16/h1-6,17H,7-8H2,(H,15,18)
InChIKeyHAZXETRWYNVURC-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.90
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 104857152) has the molecular formula C12H12F2N2O2S and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID104857152
Molecular FormulaC12H12F2N2O2S
Molecular Weight286.30 g/mol
Exact Mass286.06
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(NCC(F)(F)CO)c1sccc1-n1cccc1
InChIInChI=1S/C12H12F2N2O2S/c13-12(14,8-17)7-15-11(18)10-9(3-6-19-10)16-4-1-2-5-16/h1-6,17H,7-8H2,(H,15,18)
InChIKeyHAZXETRWYNVURC-UHFFFAOYSA-N
XLogP1.90
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65114528
N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65031882
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 66168126
4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid
CID 62041572
N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 64792811
methyl 2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoate
CID 103957822
[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate
CID 18170096
(2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid
CID 107822891
N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 61246350
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 107301495

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 104857152) is N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide is O=C(NCC(F)(F)CO)c1sccc1-n1cccc1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is HAZXETRWYNVURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2S/c13-12(14,8-17)7-15-11(18)10-9(3-6-19-10)16-4-1-2-5-16/h1-6,17H,7-8H2,(H,15,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 104857152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).