2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid

C16H15NO3S — CID 80572291

IUPAC2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cc2ccsc2)c2ccccc21
InChIInChI=1S/C16H15NO3S/c18-15(7-11-5-6-21-10-11)17-9-12(8-16(19)20)13-3-1-2-4-14(13)17/h1-6,10,12H,7-9H2,(H,19,20)
InChIKeyZTCPVWPTPIGVRZ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.90
Rot. Bonds4

About 2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid

2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 80572291) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid
PubChem CID80572291
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cc2ccsc2)c2ccccc21
InChIInChI=1S/C16H15NO3S/c18-15(7-11-5-6-21-10-11)17-9-12(8-16(19)20)13-3-1-2-4-14(13)17/h1-6,10,12H,7-9H2,(H,19,20)
InChIKeyZTCPVWPTPIGVRZ-UHFFFAOYSA-N
XLogP2.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(thiophen-3-ylmethyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578385
2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573375
2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80572965
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
2-[1-(2-methylsulfonylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573660
2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid
CID 79024077
1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691292
2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid
CID 138041171
1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573957
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thiophen-3-ylethanone
CID 51155292
2-[1-(thiolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573955

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid (CID 80572291) is 2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid is O=C(O)CC1CN(C(=O)Cc2ccsc2)c2ccccc21.
What is the InChIKey of 2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is ZTCPVWPTPIGVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-15(7-11-5-6-21-10-11)17-9-12(8-16(19)20)13-3-1-2-4-14(13)17/h1-6,10,12H,7-9H2,(H,19,20).
What are the key properties of 2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid?
2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 301.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 80572291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).