N-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

C15H17N3O3S — CID 23861655

IUPACN-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCc1cccc(NC(=O)CCSc2nc(O)cc(=O)[nH]2)c1C
InChIInChI=1S/C15H17N3O3S/c1-9-4-3-5-11(10(9)2)16-12(19)6-7-22-15-17-13(20)8-14(21)18-15/h3-5,8H,6-7H2,1-2H3,(H,16,19)(H2,17,18,20,21)
InChIKeyKTFBPOVNOSROPN-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.21
Rot. Bonds5

About N-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

N-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 23861655) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID23861655
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCc1cccc(NC(=O)CCSc2nc(O)cc(=O)[nH]2)c1C
InChIInChI=1S/C15H17N3O3S/c1-9-4-3-5-11(10(9)2)16-12(19)6-7-22-15-17-13(20)8-14(21)18-15/h3-5,8H,6-7H2,1-2H3,(H,16,19)(H2,17,18,20,21)
InChIKeyKTFBPOVNOSROPN-UHFFFAOYSA-N
XLogP2.21
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135435482
N-(3,4-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 23861651
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 25043447
N-(2,3-dimethylphenyl)-2-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetamide
CID 135528106
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,6-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135464045
2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 23829410
3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
CID 135410546
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 135574679
2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 16875475
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 23861655) is N-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is Cc1cccc(NC(=O)CCSc2nc(O)cc(=O)[nH]2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is KTFBPOVNOSROPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9-4-3-5-11(10(9)2)16-12(19)6-7-22-15-17-13(20)8-14(21)18-15/h3-5,8H,6-7H2,1-2H3,(H,16,19)(H2,17,18,20,21).
What are the key properties of N-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
N-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 319.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 23861655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).