N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide

C20H23FN2O3S — CID 133188679

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
SMILESCC(NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H23FN2O3S/c1-14(16-11-10-15-6-5-7-17(15)12-16)22-20(24)13-23(27(2,25)26)19-9-4-3-8-18(19)21/h3-4,8-12,14H,5-7,13H2,1-2H3,(H,22,24)
InChIKeySBGQEQGXBTXDBA-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.96
Rot. Bonds6

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 133188679) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID133188679
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
SMILESCC(NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H23FN2O3S/c1-14(16-11-10-15-6-5-7-17(15)12-16)22-20(24)13-23(27(2,25)26)19-9-4-3-8-18(19)21/h3-4,8-12,14H,5-7,13H2,1-2H3,(H,22,24)
InChIKeySBGQEQGXBTXDBA-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188084
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133188770
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 133185873
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 133188780
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125063285
N-[1-(4-ethoxyphenyl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43876040
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 94487638
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133188775
2-[benzenesulfonyl(methyl)amino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133186045
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133191964
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133191956
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188156

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide (CID 133188679) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide is CC(NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is SBGQEQGXBTXDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-14(16-11-10-15-6-5-7-17(15)12-16)22-20(24)13-23(27(2,25)26)19-9-4-3-8-18(19)21/h3-4,8-12,14H,5-7,13H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 390.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 133188679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).