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

C25H25BrN2O3S — CID 133191956

IUPAC2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
SMILESCC(NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H25BrN2O3S/c1-18(20-11-10-19-6-5-7-21(19)16-20)27-25(29)17-28(23-14-12-22(26)13-15-23)32(30,31)24-8-3-2-4-9-24/h2-4,8-16,18H,5-7,17H2,1H3,(H,27,29)
InChIKeyLHZMOMYUUJLQSE-UHFFFAOYSA-N
MW513.46 g/mol
LogP5.01
Rot. Bonds7

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

2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide (PubChem CID 133191956) has the molecular formula C25H25BrN2O3S and a molecular weight of 513.46 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
PubChem CID133191956
Molecular FormulaC25H25BrN2O3S
Molecular Weight513.46 g/mol
Exact Mass512.08
IUPAC Name2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
SMILESCC(NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H25BrN2O3S/c1-18(20-11-10-19-6-5-7-21(19)16-20)27-25(29)17-28(23-14-12-22(26)13-15-23)32(30,31)24-8-3-2-4-9-24/h2-4,8-16,18H,5-7,17H2,1H3,(H,27,29)
InChIKeyLHZMOMYUUJLQSE-UHFFFAOYSA-N
XLogP5.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 125084284
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 133188780
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133191964
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 125087231
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188100
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 133188702
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 40899188
2-[benzenesulfonyl(methyl)amino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133186045
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 125081428
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-(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

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide (CID 133191956) is 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide is CC(NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?
The InChIKey is LHZMOMYUUJLQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O3S/c1-18(20-11-10-19-6-5-7-21(19)16-20)27-25(29)17-28(23-14-12-22(26)13-15-23)32(30,31)24-8-3-2-4-9-24/h2-4,8-16,18H,5-7,17H2,1H3,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide has a molecular weight of 513.46 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide is sourced from PubChem (CID 133191956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).