9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide

C24H24N2O3S — CID 174417821

IUPAC9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide
SMILESCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3S(C)(=O)=O)c2c1
InChIInChI=1S/C24H24N2O3S/c1-3-7-16-12-13-18-21(14-16)26(20-10-6-9-19(23(18)20)24(25)27)15-17-8-4-5-11-22(17)30(2,28)29/h4-6,8-14H,3,7,15H2,1-2H3,(H2,25,27)
InChIKeyYFAGFLTUXBMPMW-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.30
Rot. Bonds6

About 9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide

9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide (PubChem CID 174417821) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide
PubChem CID174417821
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide
SMILESCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3S(C)(=O)=O)c2c1
InChIInChI=1S/C24H24N2O3S/c1-3-7-16-12-13-18-21(14-16)26(20-10-6-9-19(23(18)20)24(25)27)15-17-8-4-5-11-22(17)30(2,28)29/h4-6,8-14H,3,7,15H2,1-2H3,(H2,25,27)
InChIKeyYFAGFLTUXBMPMW-UHFFFAOYSA-N
XLogP4.30
TPSA82.16 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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 175235910
7-(4-chlorophenyl)-9-[(2-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174418464
7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 174400032
9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174440690
9-[(4-methylsulfonylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417959
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174400416
7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide
CID 174401378
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 174414518
7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 174418413
9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174414828
9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 175233543

Frequently Asked Questions

What is the IUPAC name of 9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide?
The IUPAC name of 9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide (CID 174417821) is 9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide is CCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3S(C)(=O)=O)c2c1.
What is the InChIKey of 9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide?
The InChIKey is YFAGFLTUXBMPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-3-7-16-12-13-18-21(14-16)26(20-10-6-9-19(23(18)20)24(25)27)15-17-8-4-5-11-22(17)30(2,28)29/h4-6,8-14H,3,7,15H2,1-2H3,(H2,25,27).
What are the key properties of 9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide?
9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide is sourced from PubChem (CID 174417821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).