N-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide

C22H24N2O4S — CID 46082935

IUPACN-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)s1
InChIInChI=1S/C22H24N2O4S/c1-5-24(14-15-10-12-23-13-11-15)22(25)19-9-8-18(29-19)16-6-7-17(26-2)21(28-4)20(16)27-3/h6-13H,5,14H2,1-4H3
InChIKeyGXXJMAJKGWZXTR-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.50
Rot. Bonds8

About N-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide

N-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide (PubChem CID 46082935) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
PubChem CID46082935
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC NameN-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)s1
InChIInChI=1S/C22H24N2O4S/c1-5-24(14-15-10-12-23-13-11-15)22(25)19-9-8-18(29-19)16-6-7-17(26-2)21(28-4)20(16)27-3/h6-13H,5,14H2,1-4H3
InChIKeyGXXJMAJKGWZXTR-UHFFFAOYSA-N
XLogP4.50
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide (CID 46082935) is N-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide is CCN(Cc1ccncc1)C(=O)c1ccc(-c2ccc(OC)c(OC)c2OC)s1.
What is the InChIKey of N-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is GXXJMAJKGWZXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-5-24(14-15-10-12-23-13-11-15)22(25)19-9-8-18(29-19)16-6-7-17(26-2)21(28-4)20(16)27-3/h6-13H,5,14H2,1-4H3.
What are the key properties of N-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide?
N-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyridin-4-ylmethyl)-5-(2,3,4-trimethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 46082935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).