9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide

C26H22N2O2S — CID 174418430

IUPAC9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
SMILESCCOc1ccccc1Cn1c2cc(-c3cccs3)ccc2c2c(C(N)=O)cccc21
InChIInChI=1S/C26H22N2O2S/c1-2-30-23-10-4-3-7-18(23)16-28-21-9-5-8-20(26(27)29)25(21)19-13-12-17(15-22(19)28)24-11-6-14-31-24/h3-15H,2,16H2,1H3,(H2,27,29)
InChIKeyLPTVSLTYILVHDE-UHFFFAOYSA-N
MW426.54 g/mol
LogP6.07
Rot. Bonds6

About 9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide

9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide (PubChem CID 174418430) has the molecular formula C26H22N2O2S and a molecular weight of 426.54 g/mol. Its IUPAC name is 9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
PubChem CID174418430
Molecular FormulaC26H22N2O2S
Molecular Weight426.54 g/mol
Exact Mass426.14
IUPAC Name9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
SMILESCCOc1ccccc1Cn1c2cc(-c3cccs3)ccc2c2c(C(N)=O)cccc21
InChIInChI=1S/C26H22N2O2S/c1-2-30-23-10-4-3-7-18(23)16-28-21-9-5-8-20(26(27)29)25(21)19-13-12-17(15-22(19)28)24-11-6-14-31-24/h3-15H,2,16H2,1H3,(H2,27,29)
InChIKeyLPTVSLTYILVHDE-UHFFFAOYSA-N
XLogP6.07
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399764
7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
CID 174414759
7-(2,4-dichlorophenyl)-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174399730
9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174400379
7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174400416
7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423912
9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399417
9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174414157
9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399494
7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417826
9-[(2-chloro-6-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174423994
9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174418321

Frequently Asked Questions

What is the IUPAC name of 9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
The IUPAC name of 9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide (CID 174418430) is 9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide is CCOc1ccccc1Cn1c2cc(-c3cccs3)ccc2c2c(C(N)=O)cccc21.
What is the InChIKey of 9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
The InChIKey is LPTVSLTYILVHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2S/c1-2-30-23-10-4-3-7-18(23)16-28-21-9-5-8-20(26(27)29)25(21)19-13-12-17(15-22(19)28)24-11-6-14-31-24/h3-15H,2,16H2,1H3,(H2,27,29).
What are the key properties of 9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide is sourced from PubChem (CID 174418430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).