2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide

C18H24N4O4S — CID 46304557

IUPAC2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)n1c(C)cc(C)nc1=O
InChIInChI=1S/C18H24N4O4S/c1-6-16(22-13(3)11-12(2)19-18(22)24)17(23)20-14-7-9-15(10-8-14)27(25,26)21(4)5/h7-11,16H,6H2,1-5H3,(H,20,23)
InChIKeyLHTWPETYKGLTPI-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.70
Rot. Bonds6

About 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide

2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide (PubChem CID 46304557) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide
PubChem CID46304557
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)n1c(C)cc(C)nc1=O
InChIInChI=1S/C18H24N4O4S/c1-6-16(22-13(3)11-12(2)19-18(22)24)17(23)20-14-7-9-15(10-8-14)27(25,26)21(4)5/h7-11,16H,6H2,1-5H3,(H,20,23)
InChIKeyLHTWPETYKGLTPI-UHFFFAOYSA-N
XLogP1.70
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide
CID 42270881
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 46304561
2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide
CID 46305565
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
CID 46304609
N-[4-(diethylsulfamoyl)phenyl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide
CID 46301387
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide
CID 6465200
(2S,3S)-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-2-phenylpentanamide
CID 25484071
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 2401409
(2S)-2-amino-N-[4-(dimethylsulfamoyl)phenyl]hexanamide
CID 107143973
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]butanamide
CID 46302020
2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
CID 65226088
(2S)-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 40932274

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide (CID 46304557) is 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide is CCC(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)n1c(C)cc(C)nc1=O.
What is the InChIKey of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide?
The InChIKey is LHTWPETYKGLTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-6-16(22-13(3)11-12(2)19-18(22)24)17(23)20-14-7-9-15(10-8-14)27(25,26)21(4)5/h7-11,16H,6H2,1-5H3,(H,20,23).
What are the key properties of 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide?
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide has a molecular weight of 392.48 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 46304557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).