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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-2-(carboxyformamido)-7-((5-fluoro-1H-indole-2-carboxamido)methyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 9825492
Ethyl 2-[2-(1H-indol-3-ylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4095436
ethyl 2-(2-((1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4178118
ethyl 2-[2-(1H-indol-3-ylsulfanyl)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
CID 4693061
Ethyl 2-[[2-[1-[2-[(2-fluorobenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5019563
(7S)-2-[(carboxycarbonyl)amino]-7-({[(5-fluoro-1H-indol-2-yl)carbonyl]amino}methyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 44396184
methyl 2-(2-(1H-indol-7-yl)acetamido)-4-methylthiophene-3-carboxylate
CID 53319945
2-[(E)-2-(1H-indol-5-yl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 71295840
5-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1H-indole-3-carboxylic acid
CID 156011972
3-(1H-indol-3-yl)-2-[(thiophen-2-yl)formamido]propanoic acid
CID 3729143
US20240002339, Example 40
CID 171034149
US20240002339, Example 46
CID 171034155

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).