9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide

C22H20N2OS — CID 174399494

IUPAC9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3cccs3)cc1n2CC1CCC1
InChIInChI=1S/C22H20N2OS/c23-22(25)17-6-2-7-18-21(17)16-10-9-15(20-8-3-11-26-20)12-19(16)24(18)13-14-4-1-5-14/h2-3,6-12,14H,1,4-5,13H2,(H2,23,25)
InChIKeyUKBZWHKPQHERSY-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.42
Rot. Bonds4

About 9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide

9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide (PubChem CID 174399494) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
PubChem CID174399494
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3cccs3)cc1n2CC1CCC1
InChIInChI=1S/C22H20N2OS/c23-22(25)17-6-2-7-18-21(17)16-10-9-15(20-8-3-11-26-20)12-19(16)24(18)13-14-4-1-5-14/h2-3,6-12,14H,1,4-5,13H2,(H2,23,25)
InChIKeyUKBZWHKPQHERSY-UHFFFAOYSA-N
XLogP5.42
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide?
The IUPAC name of 9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide (CID 174399494) is 9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide.
What is the SMILES notation for 9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide?
The canonical SMILES for 9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3cccs3)cc1n2CC1CCC1.
What is the InChIKey of 9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide?
The InChIKey is UKBZWHKPQHERSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c23-22(25)17-6-2-7-18-21(17)16-10-9-15(20-8-3-11-26-20)12-19(16)24(18)13-14-4-1-5-14/h2-3,6-12,14H,1,4-5,13H2,(H2,23,25).
What are the key properties of 9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide?
9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide is sourced from PubChem (CID 174399494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).