N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide

C23H30N4O3S — CID 78852611

IUPACN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C23H30N4O3S/c1-5-24-21-13-12-17(31(29,30)27(6-2)7-3)14-22(21)26-23(28)15-19-16(4)25-20-11-9-8-10-18(19)20/h8-14,24-25H,5-7,15H2,1-4H3,(H,26,28)
InChIKeyWNVQFEPCCBMJEQ-UHFFFAOYSA-N
MW442.59 g/mol
LogP4.12
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 78852611) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID78852611
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C23H30N4O3S/c1-5-24-21-13-12-17(31(29,30)27(6-2)7-3)14-22(21)26-23(28)15-19-16(4)25-20-11-9-8-10-18(19)20/h8-14,24-25H,5-7,15H2,1-4H3,(H,26,28)
InChIKeyWNVQFEPCCBMJEQ-UHFFFAOYSA-N
XLogP4.12
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78848231
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
CID 119680561
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
2-(2-methyl-1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 113211384
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride
CID 120558969
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 25343989
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 78848230
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 115680666
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 46589603
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide (CID 78852611) is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1c(C)[nH]c2ccccc12.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is WNVQFEPCCBMJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-5-24-21-13-12-17(31(29,30)27(6-2)7-3)14-22(21)26-23(28)15-19-16(4)25-20-11-9-8-10-18(19)20/h8-14,24-25H,5-7,15H2,1-4H3,(H,26,28).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 442.59 g/mol, XLogP of 4.12, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 78852611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).