2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide

C15H18N4O3S2 — CID 2955737

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H18N4O3S2/c1-9-8-10(2)18-15(17-9)23-11(3)14(20)19-12-4-6-13(7-5-12)24(16,21)22/h4-8,11H,1-3H3,(H,19,20)(H2,16,21,22)
InChIKeySIJWIWFIQDQBHQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.86
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide (PubChem CID 2955737) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
PubChem CID2955737
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H18N4O3S2/c1-9-8-10(2)18-15(17-9)23-11(3)14(20)19-12-4-6-13(7-5-12)24(16,21)22/h4-8,11H,1-3H3,(H,19,20)(H2,16,21,22)
InChIKeySIJWIWFIQDQBHQ-UHFFFAOYSA-N
XLogP1.86
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide (CID 2955737) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide is Cc1cc(C)nc(SC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is SIJWIWFIQDQBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-9-8-10(2)18-15(17-9)23-11(3)14(20)19-12-4-6-13(7-5-12)24(16,21)22/h4-8,11H,1-3H3,(H,19,20)(H2,16,21,22).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 366.47 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 2955737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).