3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide

C14H16FN3O2S — CID 106280386

IUPAC3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(C)(CNC(=O)c1sc2ccc(F)cc2c1N)C(N)=O
InChIInChI=1S/C14H16FN3O2S/c1-14(2,13(17)20)6-18-12(19)11-10(16)8-5-7(15)3-4-9(8)21-11/h3-5H,6,16H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyLCIDOMDDOBFGQY-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.86
Rot. Bonds4

About 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide

3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 106280386) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide
PubChem CID106280386
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(C)(CNC(=O)c1sc2ccc(F)cc2c1N)C(N)=O
InChIInChI=1S/C14H16FN3O2S/c1-14(2,13(17)20)6-18-12(19)11-10(16)8-5-7(15)3-4-9(8)21-11/h3-5H,6,16H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyLCIDOMDDOBFGQY-UHFFFAOYSA-N
XLogP1.86
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 79385439
3-amino-5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
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3-amino-5-fluoro-N-[(2-methylthiolan-2-yl)methyl]-1-benzothiophene-2-carboxamide
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3-amino-5-fluoro-N-hex-1-yn-3-yl-1-benzothiophene-2-carboxamide
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3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
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N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 119522236
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide (CID 106280386) is 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide is CC(C)(CNC(=O)c1sc2ccc(F)cc2c1N)C(N)=O.
What is the InChIKey of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is LCIDOMDDOBFGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-14(2,13(17)20)6-18-12(19)11-10(16)8-5-7(15)3-4-9(8)21-11/h3-5H,6,16H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide?
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106280386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).