N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide

C17H24N4O4S — CID 25499636

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)ccc21
InChIInChI=1S/C17H24N4O4S/c1-13(22)21-6-5-14-11-15(3-4-16(14)21)18-17(23)12-19-7-9-20(10-8-19)26(2,24)25/h3-4,11H,5-10,12H2,1-2H3,(H,18,23)
InChIKeyIUDSSRZJXPIPSI-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.11
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide (PubChem CID 25499636) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
PubChem CID25499636
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)ccc21
InChIInChI=1S/C17H24N4O4S/c1-13(22)21-6-5-14-11-15(3-4-16(14)21)18-17(23)12-19-7-9-20(10-8-19)26(2,24)25/h3-4,11H,5-10,12H2,1-2H3,(H,18,23)
InChIKeyIUDSSRZJXPIPSI-UHFFFAOYSA-N
XLogP0.11
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17493832
1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]propan-2-one
CID 110665636
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
N-(3-aminophenyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 62992900
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(azepan-1-ylsulfonyl)anilino]acetamide
CID 24510831
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide (CID 25499636) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide is CC(=O)N1CCc2cc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is IUDSSRZJXPIPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-13(22)21-6-5-14-11-15(3-4-16(14)21)18-17(23)12-19-7-9-20(10-8-19)26(2,24)25/h3-4,11H,5-10,12H2,1-2H3,(H,18,23).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 380.47 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 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-methylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 25499636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).