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

C13H11Cl2N3O3S — CID 23861651

IUPACN-(3,4-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESO=C(CCSc1nc(O)cc(=O)[nH]1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O3S/c14-8-2-1-7(5-9(8)15)16-10(19)3-4-22-13-17-11(20)6-12(21)18-13/h1-2,5-6H,3-4H2,(H,16,19)(H2,17,18,20,21)
InChIKeyRYZXASSFZIMUNW-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.90
Rot. Bonds5

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

N-(3,4-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 23861651) has the molecular formula C13H11Cl2N3O3S and a molecular weight of 360.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID23861651
Molecular FormulaC13H11Cl2N3O3S
Molecular Weight360.22 g/mol
Exact Mass358.99
IUPAC NameN-(3,4-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESO=C(CCSc1nc(O)cc(=O)[nH]1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O3S/c14-8-2-1-7(5-9(8)15)16-10(19)3-4-22-13-17-11(20)6-12(21)18-13/h1-2,5-6H,3-4H2,(H,16,19)(H2,17,18,20,21)
InChIKeyRYZXASSFZIMUNW-UHFFFAOYSA-N
XLogP2.90
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 23861655
3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)propanamide
CID 23775116
N-(4-bromophenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 1376031
N-(4-ethylphenyl)-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 19644003
2-[2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-prop-2-enylacetamide
CID 136617077
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one
CID 1108281
2-chloro-5-[3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoylamino]benzoic acid
CID 23861674
ethyl 4-[[2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 3360464
N-(3-chloro-4-methylphenyl)-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135561618
N-[4-(acetylsulfamoyl)phenyl]-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 25037986
N-(3,4-dichlorophenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304958

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 23861651) is N-(3,4-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is O=C(CCSc1nc(O)cc(=O)[nH]1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is RYZXASSFZIMUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3S/c14-8-2-1-7(5-9(8)15)16-10(19)3-4-22-13-17-11(20)6-12(21)18-13/h1-2,5-6H,3-4H2,(H,16,19)(H2,17,18,20,21).
What are the key properties of N-(3,4-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
N-(3,4-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 360.22 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 23861651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).