2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide

C21H16F2N2OS — CID 42904645

IUPAC2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NCC(c1cccs1)c1c[nH]c2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C21H16F2N2OS/c22-16-6-3-7-17(23)20(16)21(26)25-12-15(19-9-4-10-27-19)14-11-24-18-8-2-1-5-13(14)18/h1-11,15,24H,12H2,(H,25,26)
InChIKeyPKGSCDLAWXPDCS-UHFFFAOYSA-N
MW382.44 g/mol
LogP5.07
Rot. Bonds5

About 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide

2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide (PubChem CID 42904645) has the molecular formula C21H16F2N2OS and a molecular weight of 382.44 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
PubChem CID42904645
Molecular FormulaC21H16F2N2OS
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NCC(c1cccs1)c1c[nH]c2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C21H16F2N2OS/c22-16-6-3-7-17(23)20(16)21(26)25-12-15(19-9-4-10-27-19)14-11-24-18-8-2-1-5-13(14)18/h1-11,15,24H,12H2,(H,25,26)
InChIKeyPKGSCDLAWXPDCS-UHFFFAOYSA-N
XLogP5.07
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea
CID 24588097
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 4858646
N-[4-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 55366766
N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
CID 97191740
N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 26729750
2-ethoxy-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 9119210
(2S)-N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)-2-thiophen-2-ylethanamine
CID 97014263
2-chloro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]pyridine-4-carboxamide
CID 55442013
1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea
CID 55472337

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide (CID 42904645) is 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide is O=C(NCC(c1cccs1)c1c[nH]c2ccccc12)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is PKGSCDLAWXPDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2OS/c22-16-6-3-7-17(23)20(16)21(26)25-12-15(19-9-4-10-27-19)14-11-24-18-8-2-1-5-13(14)18/h1-11,15,24H,12H2,(H,25,26).
What are the key properties of 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide?
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 382.44 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 42904645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).