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

C24H24N2O3S — CID 174414327

IUPAC9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
SMILESCC(C)c1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(S(C)(=O)=O)cc3)c2c1
InChIInChI=1S/C24H24N2O3S/c1-15(2)17-9-12-19-22(13-17)26(21-6-4-5-20(23(19)21)24(25)27)14-16-7-10-18(11-8-16)30(3,28)29/h4-13,15H,14H2,1-3H3,(H2,25,27)
InChIKeyKOGQTEZOZBROCK-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.47
Rot. Bonds5

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

9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide (PubChem CID 174414327) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
PubChem CID174414327
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
SMILESCC(C)c1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(S(C)(=O)=O)cc3)c2c1
InChIInChI=1S/C24H24N2O3S/c1-15(2)17-9-12-19-22(13-17)26(21-6-4-5-20(23(19)21)24(25)27)14-16-7-10-18(11-8-16)30(3,28)29/h4-13,15H,14H2,1-3H3,(H2,25,27)
InChIKeyKOGQTEZOZBROCK-UHFFFAOYSA-N
XLogP4.47
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401073
9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174401035
9-[(4-methylsulfonylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417959
9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174417997
7-methyl-9-[(3-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401308
9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174401296
7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
CID 174414362
9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174400697
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174417821
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
The IUPAC name of 9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide (CID 174414327) is 9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide is CC(C)c1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(S(C)(=O)=O)cc3)c2c1.
What is the InChIKey of 9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
The InChIKey is KOGQTEZOZBROCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-15(2)17-9-12-19-22(13-17)26(21-6-4-5-20(23(19)21)24(25)27)14-16-7-10-18(11-8-16)30(3,28)29/h4-13,15H,14H2,1-3H3,(H2,25,27).
What are the key properties of 9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide is sourced from PubChem (CID 174414327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).