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

C26H21N3O2S — CID 174399764

IUPAC9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
SMILESCC(=O)Nc1ccccc1Cn1c2cc(-c3cccs3)ccc2c2c(C(N)=O)cccc21
InChIInChI=1S/C26H21N3O2S/c1-16(30)28-21-8-3-2-6-18(21)15-29-22-9-4-7-20(26(27)31)25(22)19-12-11-17(14-23(19)29)24-10-5-13-32-24/h2-14H,15H2,1H3,(H2,27,31)(H,28,30)
InChIKeyHQRQTUMXKWFMPC-UHFFFAOYSA-N
MW439.54 g/mol
LogP5.63
Rot. Bonds5

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

9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide (PubChem CID 174399764) has the molecular formula C26H21N3O2S and a molecular weight of 439.54 g/mol. Its IUPAC name is 9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
PubChem CID174399764
Molecular FormulaC26H21N3O2S
Molecular Weight439.54 g/mol
Exact Mass439.14
IUPAC Name9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
SMILESCC(=O)Nc1ccccc1Cn1c2cc(-c3cccs3)ccc2c2c(C(N)=O)cccc21
InChIInChI=1S/C26H21N3O2S/c1-16(30)28-21-8-3-2-6-18(21)15-29-22-9-4-7-20(26(27)31)25(22)19-12-11-17(14-23(19)29)24-10-5-13-32-24/h2-14H,15H2,1H3,(H2,27,31)(H,28,30)
InChIKeyHQRQTUMXKWFMPC-UHFFFAOYSA-N
XLogP5.63
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174418430
7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
CID 174414759
9-[(2-acetamidophenyl)methyl]-7-fluorocarbazole-4-carboxamide
CID 174401393
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-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174400379
9-[(2-chloro-6-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174423994
9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399494
9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174418321
9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 175235829
9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414385

Frequently Asked Questions

What is the IUPAC name of 9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
The IUPAC name of 9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide (CID 174399764) is 9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide is CC(=O)Nc1ccccc1Cn1c2cc(-c3cccs3)ccc2c2c(C(N)=O)cccc21.
What is the InChIKey of 9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
The InChIKey is HQRQTUMXKWFMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2S/c1-16(30)28-21-8-3-2-6-18(21)15-29-22-9-4-7-20(26(27)31)25(22)19-12-11-17(14-23(19)29)24-10-5-13-32-24/h2-14H,15H2,1H3,(H2,27,31)(H,28,30).
What are the key properties of 9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide?
9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide is sourced from PubChem (CID 174399764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).