1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

C22H25N5O5S — CID 55582396

IUPAC1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C22H25N5O5S/c1-5-26(6-2)33(31,32)15-7-10-18-14(13-15)11-12-27(18)21(29)17-9-8-16-19(23-17)24(3)22(30)25(4)20(16)28/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyILTUCOARDCYOGL-UHFFFAOYSA-N
MW471.54 g/mol
LogP0.87
Rot. Bonds5

About 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide

1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 55582396) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID55582396
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC Name1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C22H25N5O5S/c1-5-26(6-2)33(31,32)15-7-10-18-14(13-15)11-12-27(18)21(29)17-9-8-16-19(23-17)24(3)22(30)25(4)20(16)28/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyILTUCOARDCYOGL-UHFFFAOYSA-N
XLogP0.87
TPSA114.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-1-(6-methylpyridine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 32784650
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 4045730
1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
N,N-diethyl-1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 46636160
N,N-diethyl-1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 26764981
1-(2,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 46636171
1-(1-benzofuran-2-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765269
1-(4-chloro-2-fluorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765921
5-(diethylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059052

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide (CID 55582396) is 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is ILTUCOARDCYOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-5-26(6-2)33(31,32)15-7-10-18-14(13-15)11-12-27(18)21(29)17-9-8-16-19(23-17)24(3)22(30)25(4)20(16)28/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide?
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 471.54 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55582396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).