(2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid

C16H17NO3S — CID 103804649

IUPAC(2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid
SMILESCCc1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)sc1C
InChIInChI=1S/C16H17NO3S/c1-3-11-9-13(21-10(11)2)15(18)17-14(16(19)20)12-7-5-4-6-8-12/h4-9,14H,3H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1
InChIKeyZNRTXQKWKHXCFV-AWEZNQCLSA-N
MW303.38 g/mol
LogP3.17
Rot. Bonds5

About (2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid

(2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid (PubChem CID 103804649) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is (2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid
PubChem CID103804649
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name(2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid
SMILESCCc1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)sc1C
InChIInChI=1S/C16H17NO3S/c1-3-11-9-13(21-10(11)2)15(18)17-14(16(19)20)12-7-5-4-6-8-12/h4-9,14H,3H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1
InChIKeyZNRTXQKWKHXCFV-AWEZNQCLSA-N
XLogP3.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide
CID 7536278
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 32730275
N-(2-hydroxy-1-phenylethyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 63182272
(2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-methylpentanoic acid
CID 61173794
(2R)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 78975412
(2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid
CID 61144895
(2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 54991565
4-ethyl-5-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 32933112
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide
CID 9417913
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
CID 43240578
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 61143786

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid (CID 103804649) is (2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid is CCc1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)sc1C.
What is the InChIKey of (2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is ZNRTXQKWKHXCFV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-3-11-9-13(21-10(11)2)15(18)17-14(16(19)20)12-7-5-4-6-8-12/h4-9,14H,3H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid?
(2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 303.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 103804649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).