3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide

C27H23FN2O3S2 — CID 44627173

IUPAC3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide
SMILESCc1cn(Cc2ccc3ccccc3c2)c2c(CCC(=O)NS(=O)(=O)c3cccs3)cc(F)cc12
InChIInChI=1S/C27H23FN2O3S2/c1-18-16-30(17-19-8-9-20-5-2-3-6-21(20)13-19)27-22(14-23(28)15-24(18)27)10-11-25(31)29-35(32,33)26-7-4-12-34-26/h2-9,12-16H,10-11,17H2,1H3,(H,29,31)
InChIKeyWNXBDBPLFBDSEQ-UHFFFAOYSA-N
MW506.62 g/mol
LogP5.79
Rot. Bonds7

About 3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide

3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide (PubChem CID 44627173) has the molecular formula C27H23FN2O3S2 and a molecular weight of 506.62 g/mol. Its IUPAC name is 3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide
PubChem CID44627173
Molecular FormulaC27H23FN2O3S2
Molecular Weight506.62 g/mol
Exact Mass506.11
IUPAC Name3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide
SMILESCc1cn(Cc2ccc3ccccc3c2)c2c(CCC(=O)NS(=O)(=O)c3cccs3)cc(F)cc12
InChIInChI=1S/C27H23FN2O3S2/c1-18-16-30(17-19-8-9-20-5-2-3-6-21(20)13-19)27-22(14-23(28)15-24(18)27)10-11-25(31)29-35(32,33)26-7-4-12-34-26/h2-9,12-16H,10-11,17H2,1H3,(H,29,31)
InChIKeyWNXBDBPLFBDSEQ-UHFFFAOYSA-N
XLogP5.79
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.62
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-[1-(naphthalen-2-ylmethyl)-2,3-dioxoindol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
CID 46885653
2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide
CID 47268843
(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-fluoro-3-methylindol-7-yl]prop-2-enamide
CID 44627832
N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 3238020
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
N-(3-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 4615673
N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39267237
thiophen-2-ylsulfonylurea;urea
CID 19065180
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119221285
2-(4-acetylphenoxy)-N-thiophen-2-ylsulfonylacetamide
CID 71941178
N-[(4-pyrazol-1-ylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 51122550

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide?
The IUPAC name of 3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide (CID 44627173) is 3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide.
What is the SMILES notation for 3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide?
The canonical SMILES for 3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide is Cc1cn(Cc2ccc3ccccc3c2)c2c(CCC(=O)NS(=O)(=O)c3cccs3)cc(F)cc12.
What is the InChIKey of 3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide?
The InChIKey is WNXBDBPLFBDSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O3S2/c1-18-16-30(17-19-8-9-20-5-2-3-6-21(20)13-19)27-22(14-23(28)15-24(18)27)10-11-25(31)29-35(32,33)26-7-4-12-34-26/h2-9,12-16H,10-11,17H2,1H3,(H,29,31).
What are the key properties of 3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide?
3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide has a molecular weight of 506.62 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylpropanamide is sourced from PubChem (CID 44627173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).