N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C19H18N4O4S2 — CID 5051349

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nccc(=O)[nH]2)c1
InChIInChI=1S/C19H18N4O4S2/c1-23(15-7-3-2-4-8-15)29(26,27)16-9-5-6-14(12-16)21-18(25)13-28-19-20-11-10-17(24)22-19/h2-12H,13H2,1H3,(H,21,25)(H,20,22,24)
InChIKeyUBEMUCCKNWMYMC-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.33
Rot. Bonds7

About N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 5051349) has the molecular formula C19H18N4O4S2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID5051349
Molecular FormulaC19H18N4O4S2
Molecular Weight430.51 g/mol
Exact Mass430.08
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nccc(=O)[nH]2)c1
InChIInChI=1S/C19H18N4O4S2/c1-23(15-7-3-2-4-8-15)29(26,27)16-9-5-6-14(12-16)21-18(25)13-28-19-20-11-10-17(24)22-19/h2-12H,13H2,1H3,(H,21,25)(H,20,22,24)
InChIKeyUBEMUCCKNWMYMC-UHFFFAOYSA-N
XLogP2.33
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 5051349) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nccc(=O)[nH]2)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is UBEMUCCKNWMYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S2/c1-23(15-7-3-2-4-8-15)29(26,27)16-9-5-6-14(12-16)21-18(25)13-28-19-20-11-10-17(24)22-19/h2-12H,13H2,1H3,(H,21,25)(H,20,22,24).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 430.51 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 5051349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).