7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide

C22H16N2OS2 — CID 174414759

IUPAC7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3cccs3)cc1n2Cc1cccs1
InChIInChI=1S/C22H16N2OS2/c23-22(25)17-5-1-6-18-21(17)16-9-8-14(20-7-3-11-27-20)12-19(16)24(18)13-15-4-2-10-26-15/h1-12H,13H2,(H2,23,25)
InChIKeyCNSSHRJKOLYDRJ-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.73
Rot. Bonds4

About 7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide

7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide (PubChem CID 174414759) has the molecular formula C22H16N2OS2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
PubChem CID174414759
Molecular FormulaC22H16N2OS2
Molecular Weight388.52 g/mol
Exact Mass388.07
IUPAC Name7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3cccs3)cc1n2Cc1cccs1
InChIInChI=1S/C22H16N2OS2/c23-22(25)17-5-1-6-18-21(17)16-9-8-14(20-7-3-11-27-20)12-19(16)24(18)13-15-4-2-10-26-15/h1-12H,13H2,(H2,23,25)
InChIKeyCNSSHRJKOLYDRJ-UHFFFAOYSA-N
XLogP5.73
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423912
9-[(2-chloro-6-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174423994
9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399764
9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174400379
9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399494
9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174418430
8-fluoro-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
CID 174444281
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
2-(9-benzyl-5-carbamoyl-2-thiophen-2-ylcarbazol-4-yl)oxyacetic acid
CID 22337722

Frequently Asked Questions

What is the IUPAC name of 7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide?
The IUPAC name of 7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide (CID 174414759) is 7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide.
What is the SMILES notation for 7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide?
The canonical SMILES for 7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3cccs3)cc1n2Cc1cccs1.
What is the InChIKey of 7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide?
The InChIKey is CNSSHRJKOLYDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2OS2/c23-22(25)17-5-1-6-18-21(17)16-9-8-14(20-7-3-11-27-20)12-19(16)24(18)13-15-4-2-10-26-15/h1-12H,13H2,(H2,23,25).
What are the key properties of 7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide?
7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide is sourced from PubChem (CID 174414759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).