N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide

C24H30N4O4S — CID 24510831

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CNc3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccc21
InChIInChI=1S/C24H30N4O4S/c1-18(29)28-15-12-19-16-21(8-11-23(19)28)26-24(30)17-25-20-6-9-22(10-7-20)33(31,32)27-13-4-2-3-5-14-27/h6-11,16,25H,2-5,12-15,17H2,1H3,(H,26,30)
InChIKeyHXNGBKJBLZAQDV-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.21
Rot. Bonds6

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide (PubChem CID 24510831) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide
PubChem CID24510831
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CNc3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccc21
InChIInChI=1S/C24H30N4O4S/c1-18(29)28-15-12-19-16-21(8-11-23(19)28)26-24(30)17-25-20-6-9-22(10-7-20)33(31,32)27-13-4-2-3-5-14-27/h6-11,16,25H,2-5,12-15,17H2,1H3,(H,26,30)
InChIKeyHXNGBKJBLZAQDV-UHFFFAOYSA-N
XLogP3.21
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
N-(3,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083905
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide
CID 30706791
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide
CID 42067264
2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 53124723
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]acetamide
CID 24511409
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 25499636
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 78828634
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
2-(2-fluoro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9100939

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide (CID 24510831) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide is CC(=O)N1CCc2cc(NC(=O)CNc3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide?
The InChIKey is HXNGBKJBLZAQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-18(29)28-15-12-19-16-21(8-11-23(19)28)26-24(30)17-25-20-6-9-22(10-7-20)33(31,32)27-13-4-2-3-5-14-27/h6-11,16,25H,2-5,12-15,17H2,1H3,(H,26,30).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide has a molecular weight of 470.60 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide is sourced from PubChem (CID 24510831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).