N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide

C22H21NO4S — CID 20877912

IUPACN-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1cc(OC)ccc1OC
InChIInChI=1S/C22H21NO4S/c1-4-23(17-12-15(25-2)9-10-19(17)26-3)22(24)20-11-14-13-27-18-8-6-5-7-16(18)21(14)28-20/h5-12H,4,13H2,1-3H3
InChIKeyBZGZWERKDCEUFK-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.99
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide

N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877912) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877912
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC NameN-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1cc(OC)ccc1OC
InChIInChI=1S/C22H21NO4S/c1-4-23(17-12-15(25-2)9-10-19(17)26-3)22(24)20-11-14-13-27-18-8-6-5-7-16(18)21(14)28-20/h5-12H,4,13H2,1-3H3
InChIKeyBZGZWERKDCEUFK-UHFFFAOYSA-N
XLogP4.99
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877912) is N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide is CCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)c1cc(OC)ccc1OC.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is BZGZWERKDCEUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-4-23(17-12-15(25-2)9-10-19(17)26-3)22(24)20-11-14-13-27-18-8-6-5-7-16(18)21(14)28-20/h5-12H,4,13H2,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).