N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide

C25H30N4O4S — CID 55538783

IUPACN,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C25H30N4O4S/c1-3-27(4-2)34(32,33)21-10-11-23-20(18-21)14-16-28(23)24(30)12-13-25(31)29-17-15-22(26-29)19-8-6-5-7-9-19/h5-11,18H,3-4,12-17H2,1-2H3
InChIKeyCEWVXAMLYUHVFT-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.02
Rot. Bonds8

About N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide

N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 55538783) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID55538783
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC NameN,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C25H30N4O4S/c1-3-27(4-2)34(32,33)21-10-11-23-20(18-21)14-16-28(23)24(30)12-13-25(31)29-17-15-22(26-29)19-8-6-5-7-9-19/h5-11,18H,3-4,12-17H2,1-2H3
InChIKeyCEWVXAMLYUHVFT-UHFFFAOYSA-N
XLogP3.02
TPSA90.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765097
5-(diethylsulfamoyl)-N-ethyl-N-(3-phenylpropyl)-2,3-dihydroindole-1-carboxamide
CID 118398529
1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea
CID 55435420
1-(4-amino-3-methoxybutanoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 120587533
4-[5-[benzyl(methyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 6619736
N,N-diethyl-1-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
CID 55438514
1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765269
N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55668145
N,N-diethyl-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55513246
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide (CID 55538783) is N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(c2ccccc2)=N1.
What is the InChIKey of N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is CEWVXAMLYUHVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-3-27(4-2)34(32,33)21-10-11-23-20(18-21)14-16-28(23)24(30)12-13-25(31)29-17-15-22(26-29)19-8-6-5-7-9-19/h5-11,18H,3-4,12-17H2,1-2H3.
What are the key properties of N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide?
N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 482.61 g/mol, XLogP of 3.02, 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-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55538783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).