3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide

C17H19N3O4S — CID 136664987

IUPAC3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC1CC(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C17H19N3O4S/c21-16(6-7-25(23,24)14-4-2-1-3-5-14)20-13-8-12(9-13)15-10-17(22)19-11-18-15/h1-5,10-13H,6-9H2,(H,20,21)(H,18,19,22)
InChIKeyTZZNFRSROOPROH-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.00
Rot. Bonds6

About 3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide

3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide (PubChem CID 136664987) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide
PubChem CID136664987
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC1CC(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C17H19N3O4S/c21-16(6-7-25(23,24)14-4-2-1-3-5-14)20-13-8-12(9-13)15-10-17(22)19-11-18-15/h1-5,10-13H,6-9H2,(H,20,21)(H,18,19,22)
InChIKeyTZZNFRSROOPROH-UHFFFAOYSA-N
XLogP1.00
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-phenylpentanamide
CID 136664872
3-(2-fluorophenyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide
CID 136662321
3-(benzenesulfonyl)-N-cyclohexylpropanamide
CID 6458857
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CID 19584005
3-(benzenesulfonyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
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3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81181099
3-(benzenesulfonyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
CID 114631237
3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide
CID 3163450
3-(benzenesulfonyl)-N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]propanamide
CID 142693594
N-cyclohexyl-3-[2-ethyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide
CID 22586588
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119457125

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide (CID 136664987) is 3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NC1CC(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide?
The InChIKey is TZZNFRSROOPROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-16(6-7-25(23,24)14-4-2-1-3-5-14)20-13-8-12(9-13)15-10-17(22)19-11-18-15/h1-5,10-13H,6-9H2,(H,20,21)(H,18,19,22).
What are the key properties of 3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide?
3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide has a molecular weight of 361.42 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]propanamide is sourced from PubChem (CID 136664987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).