1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide

C14H17N3O4S — CID 7196408

IUPAC1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C14H17N3O4S/c1-16-10-12(13(18)17(2)14(16)19)22(20,21)15-9-8-11-6-4-3-5-7-11/h3-7,10,15H,8-9H2,1-2H3
InChIKeyJWXWYKSHFOGANC-UHFFFAOYSA-N
MW323.37 g/mol
LogP-0.40
Rot. Bonds5

About 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide

1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide (PubChem CID 7196408) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide
PubChem CID7196408
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C14H17N3O4S/c1-16-10-12(13(18)17(2)14(16)19)22(20,21)15-9-8-11-6-4-3-5-7-11/h3-7,10,15H,8-9H2,1-2H3
InChIKeyJWXWYKSHFOGANC-UHFFFAOYSA-N
XLogP-0.40
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 866267
N-benzyl-1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196425
1,3,6-trimethyl-N-(4-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196430
6-methyl-N-(4-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 22521098
3-methyl-6-[(2-phenylethyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 385872
1,3-Dimethyl-6-(phenethylamino)uracil
CID 777231
N-{2-[4-(aminosulfonyl)phenyl]ethyl}-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 3236899
1,3-dimethyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-5-pyrimidinesulfonamide
CID 5310479
1,3,6-trimethyl-2,4-dioxo-N-phenethyl-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 7196489
6-amino-1,3-dimethyl-2,4-dioxo-N-(1-phenylethyl)-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 16801242
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 46635132
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 162672949

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide (CID 7196408) is 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NCCc2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide?
The InChIKey is JWXWYKSHFOGANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-16-10-12(13(18)17(2)14(16)19)22(20,21)15-9-8-11-6-4-3-5-7-11/h3-7,10,15H,8-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide?
1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide has a molecular weight of 323.37 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-(2-phenylethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 7196408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).