2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide

C24H31N3O4S2 — CID 55438439

IUPAC2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(C)SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H31N3O4S2/c1-5-26(6-2)33(30,31)21-11-12-22-19(15-21)13-14-27(22)24(29)18(4)32-16-23(28)25-20-9-7-17(3)8-10-20/h7-12,15,18H,5-6,13-14,16H2,1-4H3,(H,25,28)
InChIKeyKBRCHKJAWBBTAF-UHFFFAOYSA-N
MW489.66 g/mol
LogP3.68
Rot. Bonds9

About 2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide

2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 55438439) has the molecular formula C24H31N3O4S2 and a molecular weight of 489.66 g/mol. Its IUPAC name is 2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID55438439
Molecular FormulaC24H31N3O4S2
Molecular Weight489.66 g/mol
Exact Mass489.18
IUPAC Name2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(C)SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H31N3O4S2/c1-5-26(6-2)33(30,31)21-11-12-22-19(15-21)13-14-27(22)24(29)18(4)32-16-23(28)25-20-9-7-17(3)8-10-20/h7-12,15,18H,5-6,13-14,16H2,1-4H3,(H,25,28)
InChIKeyKBRCHKJAWBBTAF-UHFFFAOYSA-N
XLogP3.68
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide with MolForge

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Related Compounds

N,N-diethyl-1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-2,3-dihydroindole-5-sulfonamide
CID 55871446
2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2459457
N-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46636162
5-(diethylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059052
1-[(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765345
N,N-diethyl-1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 26764981
N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134031013
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9415957
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
1-(2,5-dimethylbenzoyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435480
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 55338825
N,N-diethyl-1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 46636160

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide (CID 55438439) is 2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(C)SCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is KBRCHKJAWBBTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S2/c1-5-26(6-2)33(30,31)21-11-12-22-19(15-21)13-14-27(22)24(29)18(4)32-16-23(28)25-20-9-7-17(3)8-10-20/h7-12,15,18H,5-6,13-14,16H2,1-4H3,(H,25,28).
What are the key properties of 2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 489.66 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 55438439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).