N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C11H14F2N2O3S — CID 104857265

IUPACN-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H14F2N2O3S/c1-7(9(17)14-5-11(12,13)6-16)15-10(18)8-3-2-4-19-8/h2-4,7,16H,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyOKRXRJUYWWLLGE-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.61
Rot. Bonds6

About N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 104857265) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID104857265
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC NameN-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H14F2N2O3S/c1-7(9(17)14-5-11(12,13)6-16)15-10(18)8-3-2-4-19-8/h2-4,7,16H,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKeyOKRXRJUYWWLLGE-UHFFFAOYSA-N
XLogP0.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119521422
N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 55489098
2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid
CID 43388110
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298987
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119527410
N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46522928
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
4-methyl-4-[2-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 62042861
3-methoxy-4-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 103152904
N-[1-[(3-hydroxy-2-methylbutan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 115884647
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 104857265) is N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)NCC(F)(F)CO.
What is the InChIKey of N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is OKRXRJUYWWLLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-7(9(17)14-5-11(12,13)6-16)15-10(18)8-3-2-4-19-8/h2-4,7,16H,5-6H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 104857265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).