N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C15H19N3O5S — CID 7196356

IUPACN-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H19N3O5S/c1-17-10-13(14(19)18(2)15(17)20)24(21,22)16-9-8-11-6-4-5-7-12(11)23-3/h4-7,10,16H,8-9H2,1-3H3
InChIKeyJZGCRMVGPLXFES-UHFFFAOYSA-N
MW353.40 g/mol
LogP-0.39
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 7196356) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID7196356
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H19N3O5S/c1-17-10-13(14(19)18(2)15(17)20)24(21,22)16-9-8-11-6-4-5-7-12(11)23-3/h4-7,10,16H,8-9H2,1-3H3
InChIKeyJZGCRMVGPLXFES-UHFFFAOYSA-N
XLogP-0.39
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 7196356) is N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is COc1ccccc1CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is JZGCRMVGPLXFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-17-10-13(14(19)18(2)15(17)20)24(21,22)16-9-8-11-6-4-5-7-12(11)23-3/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 353.40 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7196356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).