N-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C15H19N3O4S — CID 3618917

IUPACN-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCCN(c1ccc(C)c(C)c1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H19N3O4S/c1-5-18(12-7-6-9(2)10(3)8-12)23(21,22)13-11(4)16-15(20)17-14(13)19/h6-8H,5H2,1-4H3,(H2,16,17,19,20)
InChIKeyZEKIFMBMFZAETF-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.20
Rot. Bonds4

About N-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 3618917) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID3618917
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCCN(c1ccc(C)c(C)c1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H19N3O4S/c1-5-18(12-7-6-9(2)10(3)8-12)23(21,22)13-11(4)16-15(20)17-14(13)19/h6-8H,5H2,1-4H3,(H2,16,17,19,20)
InChIKeyZEKIFMBMFZAETF-UHFFFAOYSA-N
XLogP1.20
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 3618917) is N-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is ZEKIFMBMFZAETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-5-18(12-7-6-9(2)10(3)8-12)23(21,22)13-11(4)16-15(20)17-14(13)19/h6-8H,5H2,1-4H3,(H2,16,17,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 337.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-ethyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 3618917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).