3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C17H22N4O5S — CID 30865522

IUPAC3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1[nH]c(=O)n(C)c(=O)c1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H22N4O5S/c1-11-14(16(23)21(2)17(24)20-11)7-8-15(22)19-10-9-12-3-5-13(6-4-12)27(18,25)26/h3-6H,7-10H2,1-2H3,(H,19,22)(H,20,24)(H2,18,25,26)
InChIKeyJLFJWAHBRAJVAT-UHFFFAOYSA-N
MW394.45 g/mol
LogP-0.68
Rot. Bonds7

About 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 30865522) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID30865522
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC Name3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1[nH]c(=O)n(C)c(=O)c1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H22N4O5S/c1-11-14(16(23)21(2)17(24)20-11)7-8-15(22)19-10-9-12-3-5-13(6-4-12)27(18,25)26/h3-6H,7-10H2,1-2H3,(H,19,22)(H,20,24)(H2,18,25,26)
InChIKeyJLFJWAHBRAJVAT-UHFFFAOYSA-N
XLogP-0.68
TPSA144.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 30865522) is 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is JLFJWAHBRAJVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S/c1-11-14(16(23)21(2)17(24)20-11)7-8-15(22)19-10-9-12-3-5-13(6-4-12)27(18,25)26/h3-6H,7-10H2,1-2H3,(H,19,22)(H,20,24)(H2,18,25,26).
What are the key properties of 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 394.45 g/mol, XLogP of -0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 30865522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).