4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide

C21H17FN2OS — CID 26821151

IUPAC4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)[C@H](c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H17FN2OS/c1-24(21(25)14-8-10-15(22)11-9-14)20(19-7-4-12-26-19)17-13-23-18-6-3-2-5-16(17)18/h2-13,20,23H,1H3/t20-/m0/s1
InChIKeyVDQKEDIWFKDQRJ-FQEVSTJZSA-N
MW364.45 g/mol
LogP5.23
Rot. Bonds4

About 4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide

4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide (PubChem CID 26821151) has the molecular formula C21H17FN2OS and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide
PubChem CID26821151
Molecular FormulaC21H17FN2OS
Molecular Weight364.45 g/mol
Exact Mass364.10
IUPAC Name4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)[C@H](c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H17FN2OS/c1-24(21(25)14-8-10-15(22)11-9-14)20(19-7-4-12-26-19)17-13-23-18-6-3-2-5-16(17)18/h2-13,20,23H,1H3/t20-/m0/s1
InChIKeyVDQKEDIWFKDQRJ-FQEVSTJZSA-N
XLogP5.23
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbutanamide
CID 38997374
N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbutanamide
CID 43843126
N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide
CID 45148699
1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea
CID 55472337
2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
CID 26821155
2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
CID 20895193
N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenoxy)acetamide
CID 26821173
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
(2S)-N-(4-fluorophenyl)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]propanamide
CID 8645674
3-(dimethylamino)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 4858646
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide (CID 26821151) is 4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide is CN(C(=O)c1ccc(F)cc1)[C@H](c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of 4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide?
The InChIKey is VDQKEDIWFKDQRJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H17FN2OS/c1-24(21(25)14-8-10-15(22)11-9-14)20(19-7-4-12-26-19)17-13-23-18-6-3-2-5-16(17)18/h2-13,20,23H,1H3/t20-/m0/s1.
What are the key properties of 4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide?
4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide has a molecular weight of 364.45 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 26821151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).