7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide

C24H33ClN2O3S — CID 18450100

IUPAC7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide
SMILESCc1c(C(=O)NC2C3(C)CCC(C3)C2(C)C)c2cccc(Cl)c2n1CCCS(C)(=O)=O
InChIInChI=1S/C24H33ClN2O3S/c1-15-19(21(28)26-22-23(2,3)16-10-11-24(22,4)14-16)17-8-6-9-18(25)20(17)27(15)12-7-13-31(5,29)30/h6,8-9,16,22H,7,10-14H2,1-5H3,(H,26,28)
InChIKeyUVCVFDKQYBRXLM-UHFFFAOYSA-N
MW465.06 g/mol
LogP4.98
Rot. Bonds6

About 7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide

7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide (PubChem CID 18450100) has the molecular formula C24H33ClN2O3S and a molecular weight of 465.06 g/mol. Its IUPAC name is 7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide.

Molecular Properties

Compound Name7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide
PubChem CID18450100
Molecular FormulaC24H33ClN2O3S
Molecular Weight465.06 g/mol
Exact Mass464.19
IUPAC Name7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide
SMILESCc1c(C(=O)NC2C3(C)CCC(C3)C2(C)C)c2cccc(Cl)c2n1CCCS(C)(=O)=O
InChIInChI=1S/C24H33ClN2O3S/c1-15-19(21(28)26-22-23(2,3)16-10-11-24(22,4)14-16)17-8-6-9-18(25)20(17)27(15)12-7-13-31(5,29)30/h6,8-9,16,22H,7,10-14H2,1-5H3,(H,26,28)
InChIKeyUVCVFDKQYBRXLM-UHFFFAOYSA-N
XLogP4.98
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.06
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
The IUPAC name of 7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide (CID 18450100) is 7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide.
What is the SMILES notation for 7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
The canonical SMILES for 7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide is Cc1c(C(=O)NC2C3(C)CCC(C3)C2(C)C)c2cccc(Cl)c2n1CCCS(C)(=O)=O.
What is the InChIKey of 7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
The InChIKey is UVCVFDKQYBRXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN2O3S/c1-15-19(21(28)26-22-23(2,3)16-10-11-24(22,4)14-16)17-8-6-9-18(25)20(17)27(15)12-7-13-31(5,29)30/h6,8-9,16,22H,7,10-14H2,1-5H3,(H,26,28).
What are the key properties of 7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide?
7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide has a molecular weight of 465.06 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-1-(3-methylsulfonylpropyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)indole-3-carboxamide is sourced from PubChem (CID 18450100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).