4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid

C19H15ClN2O3S — CID 46185109

IUPAC4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid
SMILESO=C(CCc1ccccc1)Nc1scc(-c2ccc(Cl)cn2)c1C(=O)O
InChIInChI=1S/C19H15ClN2O3S/c20-13-7-8-15(21-10-13)14-11-26-18(17(14)19(24)25)22-16(23)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11H,6,9H2,(H,22,23)(H,24,25)
InChIKeyNNSDHKNFPULXOE-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.73
Rot. Bonds6

About 4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid

4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid (PubChem CID 46185109) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid
PubChem CID46185109
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC Name4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid
SMILESO=C(CCc1ccccc1)Nc1scc(-c2ccc(Cl)cn2)c1C(=O)O
InChIInChI=1S/C19H15ClN2O3S/c20-13-7-8-15(21-10-13)14-11-26-18(17(14)19(24)25)22-16(23)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11H,6,9H2,(H,22,23)(H,24,25)
InChIKeyNNSDHKNFPULXOE-UHFFFAOYSA-N
XLogP4.73
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid (CID 46185109) is 4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid is O=C(CCc1ccccc1)Nc1scc(-c2ccc(Cl)cn2)c1C(=O)O.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid?
The InChIKey is NNSDHKNFPULXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c20-13-7-8-15(21-10-13)14-11-26-18(17(14)19(24)25)22-16(23)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11H,6,9H2,(H,22,23)(H,24,25).
What are the key properties of 4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid?
4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid has a molecular weight of 386.86 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 46185109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).