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

C24H24N2O3S — CID 137400227

IUPAC9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
SMILESCCn1c2ccccc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21
InChIInChI=1S/C24H24N2O3S/c1-3-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)24(27)25-16-17-9-12-19(13-10-17)30(28,29)4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27)
InChIKeyKZKZVXAMNPTZPQ-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.54
Rot. Bonds6

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

9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide (PubChem CID 137400227) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide.

Molecular Properties

Compound Name9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
PubChem CID137400227
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
SMILESCCn1c2ccccc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21
InChIInChI=1S/C24H24N2O3S/c1-3-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)24(27)25-16-17-9-12-19(13-10-17)30(28,29)4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27)
InChIKeyKZKZVXAMNPTZPQ-UHFFFAOYSA-N
XLogP4.54
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
The IUPAC name of 9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide (CID 137400227) is 9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide.
What is the SMILES notation for 9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
The canonical SMILES for 9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide is CCn1c2ccccc2c2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21.
What is the InChIKey of 9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
The InChIKey is KZKZVXAMNPTZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-3-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)24(27)25-16-17-9-12-19(13-10-17)30(28,29)4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27).
What are the key properties of 9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide?
9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide is sourced from PubChem (CID 137400227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).