N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide

C20H16FNO2S — CID 20877826

IUPACN-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc2c1-c1sc(C(=O)N(C)c3ccc(F)cc3)cc1CO2
InChIInChI=1S/C20H16FNO2S/c1-12-4-3-5-16-18(12)19-13(11-24-16)10-17(25-19)20(23)22(2)15-8-6-14(21)7-9-15/h3-10H,11H2,1-2H3
InChIKeyNXGRYGXDLNQGHB-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.03
Rot. Bonds2

About N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide

N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877826) has the molecular formula C20H16FNO2S and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877826
Molecular FormulaC20H16FNO2S
Molecular Weight353.42 g/mol
Exact Mass353.09
IUPAC NameN-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc2c1-c1sc(C(=O)N(C)c3ccc(F)cc3)cc1CO2
InChIInChI=1S/C20H16FNO2S/c1-12-4-3-5-16-18(12)19-13(11-24-16)10-17(25-19)20(23)22(2)15-8-6-14(21)7-9-15/h3-10H,11H2,1-2H3
InChIKeyNXGRYGXDLNQGHB-UHFFFAOYSA-N
XLogP5.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877826) is N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide is Cc1cccc2c1-c1sc(C(=O)N(C)c3ccc(F)cc3)cc1CO2.
What is the InChIKey of N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is NXGRYGXDLNQGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2S/c1-12-4-3-5-16-18(12)19-13(11-24-16)10-17(25-19)20(23)22(2)15-8-6-14(21)7-9-15/h3-10H,11H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N,9-dimethyl-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).