N-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide

C22H18F2N2OS — CID 24804940

IUPACN-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccc(F)c(F)c2)c2ccccc2n1Cc1cccs1
InChIInChI=1S/C22H18F2N2OS/c1-14-21(22(27)25-12-15-8-9-18(23)19(24)11-15)17-6-2-3-7-20(17)26(14)13-16-5-4-10-28-16/h2-11H,12-13H2,1H3,(H,25,27)
InChIKeyHCUSPLBTBUKONN-UHFFFAOYSA-N
MW396.46 g/mol
LogP5.27
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide (PubChem CID 24804940) has the molecular formula C22H18F2N2OS and a molecular weight of 396.46 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide
PubChem CID24804940
Molecular FormulaC22H18F2N2OS
Molecular Weight396.46 g/mol
Exact Mass396.11
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide
SMILESCc1c(C(=O)NCc2ccc(F)c(F)c2)c2ccccc2n1Cc1cccs1
InChIInChI=1S/C22H18F2N2OS/c1-14-21(22(27)25-12-15-8-9-18(23)19(24)11-15)17-6-2-3-7-20(17)26(14)13-16-5-4-10-28-16/h2-11H,12-13H2,1H3,(H,25,27)
InChIKeyHCUSPLBTBUKONN-UHFFFAOYSA-N
XLogP5.27
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide (CID 24804940) is N-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide is Cc1c(C(=O)NCc2ccc(F)c(F)c2)c2ccccc2n1Cc1cccs1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide?
The InChIKey is HCUSPLBTBUKONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2OS/c1-14-21(22(27)25-12-15-8-9-18(23)19(24)11-15)17-6-2-3-7-20(17)26(14)13-16-5-4-10-28-16/h2-11H,12-13H2,1H3,(H,25,27).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide has a molecular weight of 396.46 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-methyl-1-(thiophen-2-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 24804940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).