[2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

C20H14FNO4S — CID 7253215

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESO=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)Nc1ccc(F)cc1
InChIInChI=1S/C20H14FNO4S/c21-13-5-7-14(8-6-13)22-18(23)11-26-20(24)17-9-12-10-25-16-4-2-1-3-15(16)19(12)27-17/h1-9H,10-11H2,(H,22,23)
InChIKeyANSQPFVORZCPCN-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.24
Rot. Bonds4

About [2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

[2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate (PubChem CID 7253215) has the molecular formula C20H14FNO4S and a molecular weight of 383.40 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
PubChem CID7253215
Molecular FormulaC20H14FNO4S
Molecular Weight383.40 g/mol
Exact Mass383.06
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
SMILESO=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)Nc1ccc(F)cc1
InChIInChI=1S/C20H14FNO4S/c21-13-5-7-14(8-6-13)22-18(23)11-26-20(24)17-9-12-10-25-16-4-2-1-3-15(16)19(12)27-17/h1-9H,10-11H2,(H,22,23)
InChIKeyANSQPFVORZCPCN-UHFFFAOYSA-N
XLogP4.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 16512837
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 16512738
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253243
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253201
[2-(tert-butylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253097
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7620154
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7620164
N-(4-fluorophenyl)-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide
CID 27849699
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7621436
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253197
[2-(4-acetamidoanilino)-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 16512729
N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 31725309

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate (CID 7253215) is [2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate is O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
The InChIKey is ANSQPFVORZCPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO4S/c21-13-5-7-14(8-6-13)22-18(23)11-26-20(24)17-9-12-10-25-16-4-2-1-3-15(16)19(12)27-17/h1-9H,10-11H2,(H,22,23).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate?
[2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate has a molecular weight of 383.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 7253215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).