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

C20H17NO2S — CID 20877898

IUPACN-methyl-N-(2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1ccccc1N(C)C(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C20H17NO2S/c1-13-7-3-5-9-16(13)21(2)20(22)18-11-14-12-23-17-10-6-4-8-15(17)19(14)24-18/h3-11H,12H2,1-2H3
InChIKeyVAWQXEVMIMLXAG-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.89
Rot. Bonds2

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

N-methyl-N-(2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877898) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-methyl-N-(2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877898
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC NameN-methyl-N-(2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1ccccc1N(C)C(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C20H17NO2S/c1-13-7-3-5-9-16(13)21(2)20(22)18-11-14-12-23-17-10-6-4-8-15(17)19(14)24-18/h3-11H,12H2,1-2H3
InChIKeyVAWQXEVMIMLXAG-UHFFFAOYSA-N
XLogP4.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-methyl-N-(2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877898) is N-methyl-N-(2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide is Cc1ccccc1N(C)C(=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-methyl-N-(2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is VAWQXEVMIMLXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2S/c1-13-7-3-5-9-16(13)21(2)20(22)18-11-14-12-23-17-10-6-4-8-15(17)19(14)24-18/h3-11H,12H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-methyl-N-(2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).