4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile

C27H24N2O4S — CID 159512891

IUPAC4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile
SMILESCCn1c2ccccc2c2cc(CC(=O)CS(=O)(=O)CC(=O)Cc3ccc(C#N)cc3)ccc21
InChIInChI=1S/C27H24N2O4S/c1-2-29-26-6-4-3-5-24(26)25-15-21(11-12-27(25)29)14-23(31)18-34(32,33)17-22(30)13-19-7-9-20(16-28)10-8-19/h3-12,15H,2,13-14,17-18H2,1H3
InChIKeyMAVBGLLVLCTHFO-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.02
Rot. Bonds9

About 4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile

4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile (PubChem CID 159512891) has the molecular formula C27H24N2O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile
PubChem CID159512891
Molecular FormulaC27H24N2O4S
Molecular Weight472.57 g/mol
Exact Mass472.15
IUPAC Name4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile
SMILESCCn1c2ccccc2c2cc(CC(=O)CS(=O)(=O)CC(=O)Cc3ccc(C#N)cc3)ccc21
InChIInChI=1S/C27H24N2O4S/c1-2-29-26-6-4-3-5-24(26)25-15-21(11-12-27(25)29)14-23(31)18-34(32,33)17-22(30)13-19-7-9-20(16-28)10-8-19/h3-12,15H,2,13-14,17-18H2,1H3
InChIKeyMAVBGLLVLCTHFO-UHFFFAOYSA-N
XLogP4.02
TPSA97.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
4-[7-(9-ethylcarbazol-3-yl)-4-methyl-7-oxoheptanoyl]benzonitrile
CID 149380829
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate
CID 7092357
2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 11110676
2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 118404976
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide
CID 90300464
2,5-bis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 139204592
2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
CID 3473107
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
CID 70174564

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile?
The IUPAC name of 4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile (CID 159512891) is 4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile.
What is the SMILES notation for 4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile?
The canonical SMILES for 4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile is CCn1c2ccccc2c2cc(CC(=O)CS(=O)(=O)CC(=O)Cc3ccc(C#N)cc3)ccc21.
What is the InChIKey of 4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile?
The InChIKey is MAVBGLLVLCTHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4S/c1-2-29-26-6-4-3-5-24(26)25-15-21(11-12-27(25)29)14-23(31)18-34(32,33)17-22(30)13-19-7-9-20(16-28)10-8-19/h3-12,15H,2,13-14,17-18H2,1H3.
What are the key properties of 4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile?
4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile has a molecular weight of 472.57 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(9-ethylcarbazol-3-yl)-2-oxopropyl]sulfonyl-2-oxopropyl]benzonitrile is sourced from PubChem (CID 159512891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).