N-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

C20H16BrNO2S — CID 20877698

IUPACN-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)c(Br)c1
InChIInChI=1S/C20H16BrNO2S/c1-11-6-7-15(14(21)8-11)22-20(23)17-9-13-10-24-16-5-3-4-12(2)18(16)19(13)25-17/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyCNZUADDEXFNQNC-UHFFFAOYSA-N
MW414.32 g/mol
LogP5.94
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

N-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877698) has the molecular formula C20H16BrNO2S and a molecular weight of 414.32 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877698
Molecular FormulaC20H16BrNO2S
Molecular Weight414.32 g/mol
Exact Mass413.01
IUPAC NameN-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)c(Br)c1
InChIInChI=1S/C20H16BrNO2S/c1-11-6-7-15(14(21)8-11)22-20(23)17-9-13-10-24-16-5-3-4-12(2)18(16)19(13)25-17/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyCNZUADDEXFNQNC-UHFFFAOYSA-N
XLogP5.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.32
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877698) is N-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is Cc1ccc(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is CNZUADDEXFNQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO2S/c1-11-6-7-15(14(21)8-11)22-20(23)17-9-13-10-24-16-5-3-4-12(2)18(16)19(13)25-17/h3-9H,10H2,1-2H3,(H,22,23).
What are the key properties of N-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 414.32 g/mol, XLogP of 5.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).