N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide

C24H25F3N2O4S — CID 166630892

IUPACN-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide
SMILESCOCCn1ccc2cc(C(=O)NCc3ccc(CS(=O)(=O)C4CC4)cc3C(F)(F)F)ccc21
InChIInChI=1S/C24H25F3N2O4S/c1-33-11-10-29-9-8-17-13-18(4-7-22(17)29)23(30)28-14-19-3-2-16(12-21(19)24(25,26)27)15-34(31,32)20-5-6-20/h2-4,7-9,12-13,20H,5-6,10-11,14-15H2,1H3,(H,28,30)
InChIKeyDZQAXEAKXGRYJA-UHFFFAOYSA-N
MW494.54 g/mol
LogP4.31
Rot. Bonds9

About N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide

N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide (PubChem CID 166630892) has the molecular formula C24H25F3N2O4S and a molecular weight of 494.54 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide
PubChem CID166630892
Molecular FormulaC24H25F3N2O4S
Molecular Weight494.54 g/mol
Exact Mass494.15
IUPAC NameN-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide
SMILESCOCCn1ccc2cc(C(=O)NCc3ccc(CS(=O)(=O)C4CC4)cc3C(F)(F)F)ccc21
InChIInChI=1S/C24H25F3N2O4S/c1-33-11-10-29-9-8-17-13-18(4-7-22(17)29)23(30)28-14-19-3-2-16(12-21(19)24(25,26)27)15-34(31,32)20-5-6-20/h2-4,7-9,12-13,20H,5-6,10-11,14-15H2,1H3,(H,28,30)
InChIKeyDZQAXEAKXGRYJA-UHFFFAOYSA-N
XLogP4.31
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide?
The IUPAC name of N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide (CID 166630892) is N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide is COCCn1ccc2cc(C(=O)NCc3ccc(CS(=O)(=O)C4CC4)cc3C(F)(F)F)ccc21.
What is the InChIKey of N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide?
The InChIKey is DZQAXEAKXGRYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O4S/c1-33-11-10-29-9-8-17-13-18(4-7-22(17)29)23(30)28-14-19-3-2-16(12-21(19)24(25,26)27)15-34(31,32)20-5-6-20/h2-4,7-9,12-13,20H,5-6,10-11,14-15H2,1H3,(H,28,30).
What are the key properties of N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide?
N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide has a molecular weight of 494.54 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)indole-5-carboxamide is sourced from PubChem (CID 166630892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).