2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid

C20H13FN2O3S — CID 46185886

IUPAC2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid
SMILESO=C(Nc1scc(-c2c[nH]c3ccccc23)c1C(=O)O)c1cccc(F)c1
InChIInChI=1S/C20H13FN2O3S/c21-12-5-3-4-11(8-12)18(24)23-19-17(20(25)26)15(10-27-19)14-9-22-16-7-2-1-6-13(14)16/h1-10,22H,(H,23,24)(H,25,26)
InChIKeyMSNIFKNNTVEEJE-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.99
Rot. Bonds4

About 2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid

2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid (PubChem CID 46185886) has the molecular formula C20H13FN2O3S and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid
PubChem CID46185886
Molecular FormulaC20H13FN2O3S
Molecular Weight380.40 g/mol
Exact Mass380.06
IUPAC Name2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid
SMILESO=C(Nc1scc(-c2c[nH]c3ccccc23)c1C(=O)O)c1cccc(F)c1
InChIInChI=1S/C20H13FN2O3S/c21-12-5-3-4-11(8-12)18(24)23-19-17(20(25)26)15(10-27-19)14-9-22-16-7-2-1-6-13(14)16/h1-10,22H,(H,23,24)(H,25,26)
InChIKeyMSNIFKNNTVEEJE-UHFFFAOYSA-N
XLogP4.99
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid (CID 46185886) is 2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid is O=C(Nc1scc(-c2c[nH]c3ccccc23)c1C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid?
The InChIKey is MSNIFKNNTVEEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3S/c21-12-5-3-4-11(8-12)18(24)23-19-17(20(25)26)15(10-27-19)14-9-22-16-7-2-1-6-13(14)16/h1-10,22H,(H,23,24)(H,25,26).
What are the key properties of 2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid?
2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid has a molecular weight of 380.40 g/mol, XLogP of 4.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorobenzoyl)amino]-4-(1H-indol-3-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 46185886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).