[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate

C16H14FNO4S — CID 8662361

IUPAC[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1cccs1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO4S/c1-10(15(20)11-4-6-12(17)7-5-11)22-14(19)9-18-16(21)13-3-2-8-23-13/h2-8,10H,9H2,1H3,(H,18,21)/t10-/m1/s1
InChIKeyLQTMJHXVHJZEIZ-SNVBAGLBSA-N
MW335.36 g/mol
LogP2.43
Rot. Bonds6

About [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 8662361) has the molecular formula C16H14FNO4S and a molecular weight of 335.36 g/mol. Its IUPAC name is [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID8662361
Molecular FormulaC16H14FNO4S
Molecular Weight335.36 g/mol
Exact Mass335.06
IUPAC Name[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1cccs1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO4S/c1-10(15(20)11-4-6-12(17)7-5-11)22-14(19)9-18-16(21)13-3-2-8-23-13/h2-8,10H,9H2,1H3,(H,18,21)/t10-/m1/s1
InChIKeyLQTMJHXVHJZEIZ-SNVBAGLBSA-N
XLogP2.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920750
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921301
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 8662203
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884811
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884403
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7808033
N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide
CID 166453822
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877831
(4-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 3158551
N-(3,3,4-trimethyl-2-oxopentyl)thiophene-2-carboxamide
CID 157304245
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 8521447
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7808058

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate (CID 8662361) is [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate is C[C@@H](OC(=O)CNC(=O)c1cccs1)C(=O)c1ccc(F)cc1.
What is the InChIKey of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is LQTMJHXVHJZEIZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14FNO4S/c1-10(15(20)11-4-6-12(17)7-5-11)22-14(19)9-18-16(21)13-3-2-8-23-13/h2-8,10H,9H2,1H3,(H,18,21)/t10-/m1/s1.
What are the key properties of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate?
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 335.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 8662361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).