N-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide

C12H16F2N2O2S — CID 71846765

IUPACN-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)N(CC(F)F)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C12H16F2N2O2S/c1-8(2)16(7-10(13)14)11(17)6-15-12(18)9-4-3-5-19-9/h3-5,8,10H,6-7H2,1-2H3,(H,15,18)
InChIKeyDZMJEHDCTDLFGT-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.98
Rot. Bonds6

About N-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 71846765) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID71846765
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC NameN-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)N(CC(F)F)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C12H16F2N2O2S/c1-8(2)16(7-10(13)14)11(17)6-15-12(18)9-4-3-5-19-9/h3-5,8,10H,6-7H2,1-2H3,(H,15,18)
InChIKeyDZMJEHDCTDLFGT-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 71846765) is N-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide is CC(C)N(CC(F)F)C(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is DZMJEHDCTDLFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-8(2)16(7-10(13)14)11(17)6-15-12(18)9-4-3-5-19-9/h3-5,8,10H,6-7H2,1-2H3,(H,15,18).
What are the key properties of N-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,2-difluoroethyl(propan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 71846765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).