1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide

C15H19N3O4S — CID 7196430

IUPAC1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C15H19N3O4S/c1-10-5-7-12(8-6-10)9-16-23(21,22)13-11(2)17(3)15(20)18(4)14(13)19/h5-8,16H,9H2,1-4H3
InChIKeyDLXAFKJSOPPTLX-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.18
Rot. Bonds4

About 1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide

1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide (PubChem CID 7196430) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide
PubChem CID7196430
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C15H19N3O4S/c1-10-5-7-12(8-6-10)9-16-23(21,22)13-11(2)17(3)15(20)18(4)14(13)19/h5-8,16H,9H2,1-4H3
InChIKeyDLXAFKJSOPPTLX-UHFFFAOYSA-N
XLogP0.18
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide?
The IUPAC name of 1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide (CID 7196430) is 1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for 1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide is Cc1ccc(CNS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of 1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide?
The InChIKey is DLXAFKJSOPPTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10-5-7-12(8-6-10)9-16-23(21,22)13-11(2)17(3)15(20)18(4)14(13)19/h5-8,16H,9H2,1-4H3.
What are the key properties of 1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide?
1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide has a molecular weight of 337.40 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-N-[(4-methylphenyl)methyl]-2,6-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7196430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).