N-[(4-ethylsulfonylphenyl)methyl]-9-(2-methylpropyl)carbazole-3-carboxamide

C26H28N2O3S — CID 137399640

IUPACN-[(4-ethylsulfonylphenyl)methyl]-9-(2-methylpropyl)carbazole-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2ccccc2n3CC(C)C)cc1
InChIInChI=1S/C26H28N2O3S/c1-4-32(30,31)21-12-9-19(10-13-21)16-27-26(29)20-11-14-25-23(15-20)22-7-5-6-8-24(22)28(25)17-18(2)3/h5-15,18H,4,16-17H2,1-3H3,(H,27,29)
InChIKeyUJGCELWPCHYXHT-UHFFFAOYSA-N
MW448.59 g/mol
LogP5.17
Rot. Bonds7

About N-[(4-ethylsulfonylphenyl)methyl]-9-(2-methylpropyl)carbazole-3-carboxamide

N-[(4-ethylsulfonylphenyl)methyl]-9-(2-methylpropyl)carbazole-3-carboxamide (PubChem CID 137399640) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[(4-ethylsulfonylphenyl)methyl]-9-(2-methylpropyl)carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylsulfonylphenyl)methyl]-9-(2-methylpropyl)carbazole-3-carboxamide
PubChem CID137399640
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC NameN-[(4-ethylsulfonylphenyl)methyl]-9-(2-methylpropyl)carbazole-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2ccccc2n3CC(C)C)cc1
InChIInChI=1S/C26H28N2O3S/c1-4-32(30,31)21-12-9-19(10-13-21)16-27-26(29)20-11-14-25-23(15-20)22-7-5-6-8-24(22)28(25)17-18(2)3/h5-15,18H,4,16-17H2,1-3H3,(H,27,29)
InChIKeyUJGCELWPCHYXHT-UHFFFAOYSA-N
XLogP5.17
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 55.17
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-(2-methylpropyl)carbazole-3-carboxamide?
The IUPAC name of N-[(4-ethylsulfonylphenyl)methyl]-9-(2-methylpropyl)carbazole-3-carboxamide (CID 137399640) is N-[(4-ethylsulfonylphenyl)methyl]-9-(2-methylpropyl)carbazole-3-carboxamide.
What is the SMILES notation for N-[(4-ethylsulfonylphenyl)methyl]-9-(2-methylpropyl)carbazole-3-carboxamide?
The canonical SMILES for N-[(4-ethylsulfonylphenyl)methyl]-9-(2-methylpropyl)carbazole-3-carboxamide is CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)c2ccccc2n3CC(C)C)cc1.
What is the InChIKey of N-[(4-ethylsulfonylphenyl)methyl]-9-(2-methylpropyl)carbazole-3-carboxamide?
The InChIKey is UJGCELWPCHYXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-4-32(30,31)21-12-9-19(10-13-21)16-27-26(29)20-11-14-25-23(15-20)22-7-5-6-8-24(22)28(25)17-18(2)3/h5-15,18H,4,16-17H2,1-3H3,(H,27,29).
What are the key properties of N-[(4-ethylsulfonylphenyl)methyl]-9-(2-methylpropyl)carbazole-3-carboxamide?
N-[(4-ethylsulfonylphenyl)methyl]-9-(2-methylpropyl)carbazole-3-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 5.17, 7 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-(2-methylpropyl)carbazole-3-carboxamide is sourced from PubChem (CID 137399640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).