2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide

C20H16FN3O3S2 — CID 149496735

IUPAC2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
SMILESO=C(Cn1ccc2cccc(F)c21)Nc1ccc(S(=O)(=O)Cc2nccs2)cc1
InChIInChI=1S/C20H16FN3O3S2/c21-17-3-1-2-14-8-10-24(20(14)17)12-18(25)23-15-4-6-16(7-5-15)29(26,27)13-19-22-9-11-28-19/h1-11H,12-13H2,(H,23,25)
InChIKeyZGEKGMNLPYHBOD-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.85
Rot. Bonds6

About 2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide

2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide (PubChem CID 149496735) has the molecular formula C20H16FN3O3S2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
PubChem CID149496735
Molecular FormulaC20H16FN3O3S2
Molecular Weight429.50 g/mol
Exact Mass429.06
IUPAC Name2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
SMILESO=C(Cn1ccc2cccc(F)c21)Nc1ccc(S(=O)(=O)Cc2nccs2)cc1
InChIInChI=1S/C20H16FN3O3S2/c21-17-3-1-2-14-8-10-24(20(14)17)12-18(25)23-15-4-6-16(7-5-15)29(26,27)13-19-22-9-11-28-19/h1-11H,12-13H2,(H,23,25)
InChIKeyZGEKGMNLPYHBOD-UHFFFAOYSA-N
XLogP3.85
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-methoxyindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
CID 153121275
2-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544010
2-(7-aminoindol-1-yl)-N-(4-chlorophenyl)acetamide
CID 114935940
2-methoxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]benzamide
CID 149316624
2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 114935756
2-(8-fluoro-4-oxoquinolin-1-yl)-N-pyridin-4-ylacetamide
CID 43832572
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
CID 158590550
N-(4-fluorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 113244392
2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 55048330
N-[4-(acetylsulfamoyl)phenyl]-2-(6-fluoroindol-1-yl)acetamide
CID 29136353
3-indol-1-yl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 27702119
4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 42942992

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?
The IUPAC name of 2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide (CID 149496735) is 2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for 2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?
The canonical SMILES for 2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide is O=C(Cn1ccc2cccc(F)c21)Nc1ccc(S(=O)(=O)Cc2nccs2)cc1.
What is the InChIKey of 2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?
The InChIKey is ZGEKGMNLPYHBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S2/c21-17-3-1-2-14-8-10-24(20(14)17)12-18(25)23-15-4-6-16(7-5-15)29(26,27)13-19-22-9-11-28-19/h1-11H,12-13H2,(H,23,25).
What are the key properties of 2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?
2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide has a molecular weight of 429.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 149496735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).