N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

C25H25FN2O3S — CID 133188780

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESCC(NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H25FN2O3S/c1-18(20-11-10-19-6-5-7-21(19)16-20)27-25(29)17-28(23-8-3-2-4-9-23)32(30,31)24-14-12-22(26)13-15-24/h2-4,8-16,18H,5-7,17H2,1H3,(H,27,29)
InChIKeyMRXSFXMCGFNLDY-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.39
Rot. Bonds7

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (PubChem CID 133188780) has the molecular formula C25H25FN2O3S and a molecular weight of 452.55 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
PubChem CID133188780
Molecular FormulaC25H25FN2O3S
Molecular Weight452.55 g/mol
Exact Mass452.16
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESCC(NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H25FN2O3S/c1-18(20-11-10-19-6-5-7-21(19)16-20)27-25(29)17-28(23-8-3-2-4-9-23)32(30,31)24-14-12-22(26)13-15-24/h2-4,8-16,18H,5-7,17H2,1H3,(H,27,29)
InChIKeyMRXSFXMCGFNLDY-UHFFFAOYSA-N
XLogP4.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 125079504
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 133188702
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133191956
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 125084284
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125063186
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 133188756
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188194
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133191964
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 125081428
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188084
2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 4258706
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125063550

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (CID 133188780) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide is CC(NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The InChIKey is MRXSFXMCGFNLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3S/c1-18(20-11-10-19-6-5-7-21(19)16-20)27-25(29)17-28(23-8-3-2-4-9-23)32(30,31)24-14-12-22(26)13-15-24/h2-4,8-16,18H,5-7,17H2,1H3,(H,27,29).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide has a molecular weight of 452.55 g/mol, XLogP of 4.39, 7 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-(N-(4-fluorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 133188780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).