N,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide

C20H28N4O5S — CID 55438514

IUPACN,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C20H28N4O5S/c1-4-22(5-2)30(28,29)16-8-9-17-15(13-16)10-12-23(17)18(25)7-6-11-24-19(26)14-21(3)20(24)27/h8-9,13H,4-7,10-12,14H2,1-3H3
InChIKeyQPEXJODZNNISJP-UHFFFAOYSA-N
MW436.53 g/mol
LogP1.28
Rot. Bonds8

About N,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide

N,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 55438514) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is N,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID55438514
Molecular FormulaC20H28N4O5S
Molecular Weight436.53 g/mol
Exact Mass436.18
IUPAC NameN,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C20H28N4O5S/c1-4-22(5-2)30(28,29)16-8-9-17-15(13-16)10-12-23(17)18(25)7-6-11-24-19(26)14-21(3)20(24)27/h8-9,13H,4-7,10-12,14H2,1-3H3
InChIKeyQPEXJODZNNISJP-UHFFFAOYSA-N
XLogP1.28
TPSA98.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
CID 55438614
1-(2-cyclopentyloxyacetyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 47046893
1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765097
N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 26765658
N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134031013
1-(4-amino-3-methoxybutanoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 120587533
5-(diethylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059052
N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
CID 55538783
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
CID 46535281
N,N-diethyl-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 119696154
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide (CID 55438514) is N,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCN1C(=O)CN(C)C1=O.
What is the InChIKey of N,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is QPEXJODZNNISJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-4-22(5-2)30(28,29)16-8-9-17-15(13-16)10-12-23(17)18(25)7-6-11-24-19(26)14-21(3)20(24)27/h8-9,13H,4-7,10-12,14H2,1-3H3.
What are the key properties of N,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide?
N,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 436.53 g/mol, XLogP of 1.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55438514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).