N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide

C24H37N5O5S — CID 16550078

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H37N5O5S/c1-6-9-15-29-21(25)20(22(30)26-24(29)32)28(16-14-17(4)5)23(31)18-10-12-19(13-11-18)35(33,34)27(7-2)8-3/h10-13,17H,6-9,14-16,25H2,1-5H3,(H,26,30,32)
InChIKeyATMLTVYVTYPOBX-UHFFFAOYSA-N
MW507.66 g/mol
LogP2.64
Rot. Bonds12

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide (PubChem CID 16550078) has the molecular formula C24H37N5O5S and a molecular weight of 507.66 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
PubChem CID16550078
Molecular FormulaC24H37N5O5S
Molecular Weight507.66 g/mol
Exact Mass507.25
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H37N5O5S/c1-6-9-15-29-21(25)20(22(30)26-24(29)32)28(16-14-17(4)5)23(31)18-10-12-19(13-11-18)35(33,34)27(7-2)8-3/h10-13,17H,6-9,14-16,25H2,1-5H3,(H,26,30,32)
InChIKeyATMLTVYVTYPOBX-UHFFFAOYSA-N
XLogP2.64
TPSA138.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.66
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide 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-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 24980898
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(propan-2-ylsulfamoyl)-N-propylbenzamide
CID 16594295
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-(propan-2-ylsulfamoyl)benzamide
CID 16593377
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide
CID 55338202
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 26185355
methyl 6-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)carbamoyl]pyridine-3-carboxylate
CID 30748038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide
CID 26185385
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenyl)-N-(3-methylbutyl)acetamide
CID 26185400
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,4-dichloro-N-(3-methylbutyl)benzamide
CID 26185365
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methoxy-N-(3-methylbutyl)benzamide
CID 26185350
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 52896459

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide (CID 16550078) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide?
The InChIKey is ATMLTVYVTYPOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O5S/c1-6-9-15-29-21(25)20(22(30)26-24(29)32)28(16-14-17(4)5)23(31)18-10-12-19(13-11-18)35(33,34)27(7-2)8-3/h10-13,17H,6-9,14-16,25H2,1-5H3,(H,26,30,32).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide has a molecular weight of 507.66 g/mol, XLogP of 2.64, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 16550078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).