6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide

C28H30N2O4S — CID 155294430

IUPAC6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
SMILESCCn1c2ccc(OC3CCC3)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21
InChIInChI=1S/C28H30N2O4S/c1-3-30-26-14-10-20(28(31)29-18-19-8-12-23(13-9-19)35(32,33)4-2)16-24(26)25-17-22(11-15-27(25)30)34-21-6-5-7-21/h8-17,21H,3-7,18H2,1-2H3,(H,29,31)
InChIKeyLWRIAGPHTVDVJI-UHFFFAOYSA-N
MW490.63 g/mol
LogP5.47
Rot. Bonds8

About 6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide

6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide (PubChem CID 155294430) has the molecular formula C28H30N2O4S and a molecular weight of 490.63 g/mol. Its IUPAC name is 6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
PubChem CID155294430
Molecular FormulaC28H30N2O4S
Molecular Weight490.63 g/mol
Exact Mass490.19
IUPAC Name6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
SMILESCCn1c2ccc(OC3CCC3)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21
InChIInChI=1S/C28H30N2O4S/c1-3-30-26-14-10-20(28(31)29-18-19-8-12-23(13-9-19)35(32,33)4-2)16-24(26)25-17-22(11-15-27(25)30)34-21-6-5-7-21/h8-17,21H,3-7,18H2,1-2H3,(H,29,31)
InChIKeyLWRIAGPHTVDVJI-UHFFFAOYSA-N
XLogP5.47
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
The IUPAC name of 6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide (CID 155294430) is 6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide.
What is the SMILES notation for 6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
The canonical SMILES for 6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide is CCn1c2ccc(OC3CCC3)cc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21.
What is the InChIKey of 6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
The InChIKey is LWRIAGPHTVDVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4S/c1-3-30-26-14-10-20(28(31)29-18-19-8-12-23(13-9-19)35(32,33)4-2)16-24(26)25-17-22(11-15-27(25)30)34-21-6-5-7-21/h8-17,21H,3-7,18H2,1-2H3,(H,29,31).
What are the key properties of 6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyloxy-9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide is sourced from PubChem (CID 155294430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).