5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic acid

C16H17NO3S — CID 166284591

IUPAC5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic acid
SMILESCCC(NC(=O)Cc1cc(C(=O)O)cs1)c1ccccc1
InChIInChI=1S/C16H17NO3S/c1-2-14(11-6-4-3-5-7-11)17-15(18)9-13-8-12(10-21-13)16(19)20/h3-8,10,14H,2,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyLNISMMSTZFEZIR-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.26
Rot. Bonds6

About 5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic acid

5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic acid (PubChem CID 166284591) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic acid
PubChem CID166284591
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic acid
SMILESCCC(NC(=O)Cc1cc(C(=O)O)cs1)c1ccccc1
InChIInChI=1S/C16H17NO3S/c1-2-14(11-6-4-3-5-7-11)17-15(18)9-13-8-12(10-21-13)16(19)20/h3-8,10,14H,2,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyLNISMMSTZFEZIR-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

2-(2-chlorophenyl)-N-(1-phenylpropyl)acetamide
CID 17328141
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide
CID 31932218
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
2-(naphthalen-2-ylamino)-N-(1-phenylpropyl)acetamide
CID 54839833
2-(4-methoxy-3-methylphenyl)-N-(1-phenylpropyl)acetamide
CID 133210916
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide
CID 113272323
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
N-[1-(4-chlorophenyl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 24600790
2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide
CID 113250858

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic acid (CID 166284591) is 5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic acid is CCC(NC(=O)Cc1cc(C(=O)O)cs1)c1ccccc1.
What is the InChIKey of 5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic acid?
The InChIKey is LNISMMSTZFEZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-2-14(11-6-4-3-5-7-11)17-15(18)9-13-8-12(10-21-13)16(19)20/h3-8,10,14H,2,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic acid?
5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic 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 5-[2-oxo-2-(1-phenylpropylamino)ethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 166284591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).