2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid

C16H15NO4S — CID 119224142

IUPAC2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
SMILESCCC(NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)O
InChIInChI=1S/C16H15NO4S/c1-2-11(16(19)20)17-15(18)13-7-9-8-21-12-6-4-3-5-10(12)14(9)22-13/h3-7,11H,2,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyTUUPNCMUGDXQOV-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.90
Rot. Bonds4

About 2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid

2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid (PubChem CID 119224142) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
PubChem CID119224142
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Name2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
SMILESCCC(NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)O
InChIInChI=1S/C16H15NO4S/c1-2-11(16(19)20)17-15(18)13-7-9-8-21-12-6-4-3-5-10(12)14(9)22-13/h3-7,11H,2,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyTUUPNCMUGDXQOV-UHFFFAOYSA-N
XLogP2.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid?
The IUPAC name of 2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid (CID 119224142) is 2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid.
What is the SMILES notation for 2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid?
The canonical SMILES for 2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid is CCC(NC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)O.
What is the InChIKey of 2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid?
The InChIKey is TUUPNCMUGDXQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-2-11(16(19)20)17-15(18)13-7-9-8-21-12-6-4-3-5-10(12)14(9)22-13/h3-7,11H,2,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid?
2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid has a molecular weight of 317.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid is sourced from PubChem (CID 119224142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).