N-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide

C10H10F2N2O2S — CID 97186106

IUPACN-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide
SMILESC[C@@H](CC#N)NC(=O)c1sccc1OC(F)F
InChIInChI=1S/C10H10F2N2O2S/c1-6(2-4-13)14-9(15)8-7(3-5-17-8)16-10(11)12/h3,5-6,10H,2H2,1H3,(H,14,15)/t6-/m0/s1
InChIKeyOJVVGFBCSVJSDB-LURJTMIESA-N
MW260.26 g/mol
LogP2.38
Rot. Bonds5

About N-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide

N-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide (PubChem CID 97186106) has the molecular formula C10H10F2N2O2S and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide
PubChem CID97186106
Molecular FormulaC10H10F2N2O2S
Molecular Weight260.26 g/mol
Exact Mass260.04
IUPAC NameN-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide
SMILESC[C@@H](CC#N)NC(=O)c1sccc1OC(F)F
InChIInChI=1S/C10H10F2N2O2S/c1-6(2-4-13)14-9(15)8-7(3-5-17-8)16-10(11)12/h3,5-6,10H,2H2,1H3,(H,14,15)/t6-/m0/s1
InChIKeyOJVVGFBCSVJSDB-LURJTMIESA-N
XLogP2.38
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide (CID 97186106) is N-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide is C[C@@H](CC#N)NC(=O)c1sccc1OC(F)F.
What is the InChIKey of N-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide?
The InChIKey is OJVVGFBCSVJSDB-LURJTMIESA-N. The full InChI is InChI=1S/C10H10F2N2O2S/c1-6(2-4-13)14-9(15)8-7(3-5-17-8)16-10(11)12/h3,5-6,10H,2H2,1H3,(H,14,15)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide?
N-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide has a molecular weight of 260.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-cyanopropan-2-yl]-3-(difluoromethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 97186106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).