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

C23H22N2O3S — CID 137399832

IUPACN-[(4-ethylsulfonylphenyl)methyl]-9-methylcarbazole-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2ccccc2n3C)cc1
InChIInChI=1S/C23H22N2O3S/c1-3-29(27,28)18-11-8-16(9-12-18)15-24-23(26)17-10-13-22-20(14-17)19-6-4-5-7-21(19)25(22)2/h4-14H,3,15H2,1-2H3,(H,24,26)
InChIKeyDFXMUCXTPMAPCK-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.06
Rot. Bonds5

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

N-[(4-ethylsulfonylphenyl)methyl]-9-methylcarbazole-3-carboxamide (PubChem CID 137399832) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[(4-ethylsulfonylphenyl)methyl]-9-methylcarbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylsulfonylphenyl)methyl]-9-methylcarbazole-3-carboxamide
PubChem CID137399832
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-[(4-ethylsulfonylphenyl)methyl]-9-methylcarbazole-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2ccccc2n3C)cc1
InChIInChI=1S/C23H22N2O3S/c1-3-29(27,28)18-11-8-16(9-12-18)15-24-23(26)17-10-13-22-20(14-17)19-6-4-5-7-21(19)25(22)2/h4-14H,3,15H2,1-2H3,(H,24,26)
InChIKeyDFXMUCXTPMAPCK-UHFFFAOYSA-N
XLogP4.06
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylsulfonylphenyl)methyl]-9-methylcarbazole-3-carboxamide?
The IUPAC name of N-[(4-ethylsulfonylphenyl)methyl]-9-methylcarbazole-3-carboxamide (CID 137399832) is N-[(4-ethylsulfonylphenyl)methyl]-9-methylcarbazole-3-carboxamide.
What is the SMILES notation for N-[(4-ethylsulfonylphenyl)methyl]-9-methylcarbazole-3-carboxamide?
The canonical SMILES for N-[(4-ethylsulfonylphenyl)methyl]-9-methylcarbazole-3-carboxamide is CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2ccccc2n3C)cc1.
What is the InChIKey of N-[(4-ethylsulfonylphenyl)methyl]-9-methylcarbazole-3-carboxamide?
The InChIKey is DFXMUCXTPMAPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-3-29(27,28)18-11-8-16(9-12-18)15-24-23(26)17-10-13-22-20(14-17)19-6-4-5-7-21(19)25(22)2/h4-14H,3,15H2,1-2H3,(H,24,26).
What are the key properties of N-[(4-ethylsulfonylphenyl)methyl]-9-methylcarbazole-3-carboxamide?
N-[(4-ethylsulfonylphenyl)methyl]-9-methylcarbazole-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylsulfonylphenyl)methyl]-9-methylcarbazole-3-carboxamide is sourced from PubChem (CID 137399832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).