2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

C13H14N4O4S2 — CID 135449891

IUPAC2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C13H14N4O4S2/c1-8-6-11(18)17-13(15-8)22-7-12(19)16-9-2-4-10(5-3-9)23(14,20)21/h2-6H,7H2,1H3,(H,16,19)(H2,14,20,21)(H,15,17,18)
InChIKeyIODUHUPZLCAWSC-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.46
Rot. Bonds5

About 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 135449891) has the molecular formula C13H14N4O4S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID135449891
Molecular FormulaC13H14N4O4S2
Molecular Weight354.41 g/mol
Exact Mass354.05
IUPAC Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C13H14N4O4S2/c1-8-6-11(18)17-13(15-8)22-7-12(19)16-9-2-4-10(5-3-9)23(14,20)21/h2-6H,7H2,1H3,(H,16,19)(H2,14,20,21)(H,15,17,18)
InChIKeyIODUHUPZLCAWSC-UHFFFAOYSA-N
XLogP0.46
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N4-Acetylsulfaguanidine
CID 87925
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 135413939
4-[(4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 135422576
N-{4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)(phenyl)sulfamoyl]phenyl}acetamide
CID 2965080
2-[(4-hydroxy-6-methyl-2-pyrimidinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide
CID 135406349
N-(4-{[(diethyl-lambda~4~-sulfanylidene)amino]sulfonyl}phenyl)acetamide
CID 264199
N-(4-((2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)sulfonyl)phenyl)acetamide
CID 2148546
2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 3132115
2-(4-Hydroxy-pyrimidin-2-ylsulfanyl)-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide
CID 3184608
N-(4-{[(2Z)-2-({[4-(acetylamino)phenyl]sulfonyl}imino)-1,3-thiazolidin-3-yl]sulfonyl}phenyl)acetamide
CID 9555291
N-(4-{[2-(diaminomethylene)hydrazino]sulfonyl}phenyl)acetamide
CID 10683513
N-(4-ethylphenyl)-2-({4-hydroxy-6-[(phenylsulfonyl)amino]-2-pyrimidinyl}sulfanyl)acetamide
CID 135455145

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (CID 135449891) is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is IODUHUPZLCAWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S2/c1-8-6-11(18)17-13(15-8)22-7-12(19)16-9-2-4-10(5-3-9)23(14,20)21/h2-6H,7H2,1H3,(H,16,19)(H2,14,20,21)(H,15,17,18).
What are the key properties of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 135449891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).