2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide

C14H17FN2O2S — CID 143915461

IUPAC2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(C2=CC(C(N)=O)C(N)S2)c(F)c1
InChIInChI=1S/C14H17FN2O2S/c1-14(2,19)7-3-4-8(10(15)5-7)11-6-9(12(16)18)13(17)20-11/h3-6,9,13,19H,17H2,1-2H3,(H2,16,18)
InChIKeyYEYSZHBAIRUBGI-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.53
Rot. Bonds3

About 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide

2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide (PubChem CID 143915461) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide
PubChem CID143915461
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(C2=CC(C(N)=O)C(N)S2)c(F)c1
InChIInChI=1S/C14H17FN2O2S/c1-14(2,19)7-3-4-8(10(15)5-7)11-6-9(12(16)18)13(17)20-11/h3-6,9,13,19H,17H2,1-2H3,(H2,16,18)
InChIKeyYEYSZHBAIRUBGI-UHFFFAOYSA-N
XLogP1.53
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2,6-Difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide
CID 143915487
2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol
CID 143924614
(Z)-4-(aminomethylsulfanyl)-4-[4-(2-hydroxypropan-2-yl)phenyl]but-3-enamide;ethane
CID 143915497
5-Amino-2-[4-(2-hydroxypropan-2-yl)phenyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 143930481
(Z)-4-(aminomethylsulfanyl)-4-[4-(2-hydroxypropan-2-yl)phenyl]but-3-enamide
CID 143915498

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide?
The IUPAC name of 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide (CID 143915461) is 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide is CC(C)(O)c1ccc(C2=CC(C(N)=O)C(N)S2)c(F)c1.
What is the InChIKey of 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide?
The InChIKey is YEYSZHBAIRUBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-14(2,19)7-3-4-8(10(15)5-7)11-6-9(12(16)18)13(17)20-11/h3-6,9,13,19H,17H2,1-2H3,(H2,16,18).
What are the key properties of 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide?
2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2,3-dihydrothiophene-3-carboxamide is sourced from PubChem (CID 143915461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).