N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide

C17H19FN2O2S — CID 51104213

IUPACN-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCC(C)(CNC(=O)CNC(=O)c1ccsc1)c1ccccc1F
InChIInChI=1S/C17H19FN2O2S/c1-17(2,13-5-3-4-6-14(13)18)11-20-15(21)9-19-16(22)12-7-8-23-10-12/h3-8,10H,9,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZABMXMLCLJVJFN-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.71
Rot. Bonds6

About N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide

N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 51104213) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide
PubChem CID51104213
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC NameN-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCC(C)(CNC(=O)CNC(=O)c1ccsc1)c1ccccc1F
InChIInChI=1S/C17H19FN2O2S/c1-17(2,13-5-3-4-6-14(13)18)11-20-15(21)9-19-16(22)12-7-8-23-10-12/h3-8,10H,9,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZABMXMLCLJVJFN-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 109389253
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119766091
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
5-[[2-(2-fluorophenyl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylic acid
CID 119183626
3-ethyl-N-[2-(2-fluorophenyl)-2-methylpropyl]thiophene-2-carboxamide
CID 52834645
N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide
CID 95774795
N-[2-(2-fluorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide
CID 110468020
1-[2-(2-fluorophenyl)-2-methylpropyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 111940515
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195
N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide
CID 47378451

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide (CID 51104213) is N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide is CC(C)(CNC(=O)CNC(=O)c1ccsc1)c1ccccc1F.
What is the InChIKey of N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is ZABMXMLCLJVJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-17(2,13-5-3-4-6-14(13)18)11-20-15(21)9-19-16(22)12-7-8-23-10-12/h3-8,10H,9,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide?
N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 51104213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).