3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide

C13H14N4O3S2 — CID 25038576

IUPAC3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCSc2ncccn2)cc1
InChIInChI=1S/C13H14N4O3S2/c14-22(19,20)11-4-2-10(3-5-11)17-12(18)6-9-21-13-15-7-1-8-16-13/h1-5,7-8H,6,9H2,(H,17,18)(H2,14,19,20)
InChIKeyXXIAIKAVGFRAFQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.24
Rot. Bonds6

About 3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide

3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide (PubChem CID 25038576) has the molecular formula C13H14N4O3S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide
PubChem CID25038576
Molecular FormulaC13H14N4O3S2
Molecular Weight338.41 g/mol
Exact Mass338.05
IUPAC Name3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCSc2ncccn2)cc1
InChIInChI=1S/C13H14N4O3S2/c14-22(19,20)11-4-2-10(3-5-11)17-12(18)6-9-21-13-15-7-1-8-16-13/h1-5,7-8H,6,9H2,(H,17,18)(H2,14,19,20)
InChIKeyXXIAIKAVGFRAFQ-UHFFFAOYSA-N
XLogP1.24
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 12954886
3-pyridin-2-ylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25043950
3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25392998
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25044457
3-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 34502642
N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 2099003
N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23804280
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25049653
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-pyridin-2-ylsulfanylpropanamide
CID 25036549

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide (CID 25038576) is 3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)CCSc2ncccn2)cc1.
What is the InChIKey of 3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is XXIAIKAVGFRAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S2/c14-22(19,20)11-4-2-10(3-5-11)17-12(18)6-9-21-13-15-7-1-8-16-13/h1-5,7-8H,6,9H2,(H,17,18)(H2,14,19,20).
What are the key properties of 3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide?
3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 338.41 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-ylsulfanyl-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 25038576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).