3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid

C16H17NO3S — CID 43351346

IUPAC3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCCc1ccc(C(=O)NC(CC(=O)O)c2ccccc2)s1
InChIInChI=1S/C16H17NO3S/c1-2-12-8-9-14(21-12)16(20)17-13(10-15(18)19)11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyJXUSPPUPKXQXFI-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.26
Rot. Bonds6

About 3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid

3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 43351346) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID43351346
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCCc1ccc(C(=O)NC(CC(=O)O)c2ccccc2)s1
InChIInChI=1S/C16H17NO3S/c1-2-12-8-9-14(21-12)16(20)17-13(10-15(18)19)11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyJXUSPPUPKXQXFI-UHFFFAOYSA-N
XLogP3.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43092663
N-(1-aminobutan-2-yl)-5-ethylthiophene-2-carboxamide
CID 65193940
(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351348
N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide
CID 114300346
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-benzamido-3-phenylpropanoic acid
CID 2834576
N-[(2R)-1-aminopropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 104873084
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-phenylpropyl]-5-ethylthiophene-2-carboxamide
CID 56728618
(2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid
CID 107831637
N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 166180453

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid (CID 43351346) is 3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid is CCc1ccc(C(=O)NC(CC(=O)O)c2ccccc2)s1.
What is the InChIKey of 3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is JXUSPPUPKXQXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-2-12-8-9-14(21-12)16(20)17-13(10-15(18)19)11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid?
3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 303.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 43351346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).