N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide

C15H15FN2O2S — CID 56819457

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(N)=O
InChIInChI=1S/C15H15FN2O2S/c1-15(2,14(17)20)18-13(19)12-8-7-11(21-12)9-3-5-10(16)6-4-9/h3-8H,1-2H3,(H2,17,20)(H,18,19)
InChIKeyLBCJPHXUFQAFOC-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.55
Rot. Bonds4

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 56819457) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID56819457
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(N)=O
InChIInChI=1S/C15H15FN2O2S/c1-15(2,14(17)20)18-13(19)12-8-7-11(21-12)9-3-5-10(16)6-4-9/h3-8H,1-2H3,(H2,17,20)(H,18,19)
InChIKeyLBCJPHXUFQAFOC-UHFFFAOYSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 56819457) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide is CC(C)(NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is LBCJPHXUFQAFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-15(2,14(17)20)18-13(19)12-8-7-11(21-12)9-3-5-10(16)6-4-9/h3-8H,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 56819457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).