N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide

C24H31N5O4S — CID 16576239

IUPACN-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)c1C
InChIInChI=1S/C24H31N5O4S/c1-17-4-3-5-21(18(17)2)26-23(30)15-27-10-12-28(13-11-27)16-24(31)29-9-8-19-14-20(34(25,32)33)6-7-22(19)29/h3-7,14H,8-13,15-16H2,1-2H3,(H,26,30)(H2,25,32,33)
InChIKeyRGOFQLBOULQLQC-UHFFFAOYSA-N
MW485.61 g/mol
LogP1.10
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 16576239) has the molecular formula C24H31N5O4S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID16576239
Molecular FormulaC24H31N5O4S
Molecular Weight485.61 g/mol
Exact Mass485.21
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)c1C
InChIInChI=1S/C24H31N5O4S/c1-17-4-3-5-21(18(17)2)26-23(30)15-27-10-12-28(13-11-27)16-24(31)29-9-8-19-14-20(34(25,32)33)6-7-22(19)29/h3-7,14H,8-13,15-16H2,1-2H3,(H,26,30)(H2,25,32,33)
InChIKeyRGOFQLBOULQLQC-UHFFFAOYSA-N
XLogP1.10
TPSA116.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16599297
1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18286340
1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 31539906
5-[(2,3-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058910
1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 35171895
1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55478576
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide
CID 26372619
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,3-dimethylphenyl)-4-methylpentanamide
CID 15996337
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
CID 24526881
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide (CID 16576239) is N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is RGOFQLBOULQLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4S/c1-17-4-3-5-21(18(17)2)26-23(30)15-27-10-12-28(13-11-27)16-24(31)29-9-8-19-14-20(34(25,32)33)6-7-22(19)29/h3-7,14H,8-13,15-16H2,1-2H3,(H,26,30)(H2,25,32,33).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 485.61 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 16576239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).