N-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide

C11H13F2N3O2S — CID 107485323

IUPACN-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESN#Cc1ccsc1NC(=O)CN(CCO)CC(F)F
InChIInChI=1S/C11H13F2N3O2S/c12-9(13)6-16(2-3-17)7-10(18)15-11-8(5-14)1-4-19-11/h1,4,9,17H,2-3,6-7H2,(H,15,18)
InChIKeyDGYWCVCNEQWLFD-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.12
Rot. Bonds7

About N-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide

N-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (PubChem CID 107485323) has the molecular formula C11H13F2N3O2S and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
PubChem CID107485323
Molecular FormulaC11H13F2N3O2S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide
SMILESN#Cc1ccsc1NC(=O)CN(CCO)CC(F)F
InChIInChI=1S/C11H13F2N3O2S/c12-9(13)6-16(2-3-17)7-10(18)15-11-8(5-14)1-4-19-11/h1,4,9,17H,2-3,6-7H2,(H,15,18)
InChIKeyDGYWCVCNEQWLFD-UHFFFAOYSA-N
XLogP1.12
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide (CID 107485323) is N-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is N#Cc1ccsc1NC(=O)CN(CCO)CC(F)F.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is DGYWCVCNEQWLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2S/c12-9(13)6-16(2-3-17)7-10(18)15-11-8(5-14)1-4-19-11/h1,4,9,17H,2-3,6-7H2,(H,15,18).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide?
N-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 289.31 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 107485323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).