N-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide

C19H17Cl2N3O3S — CID 26078455

IUPACN-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide
SMILESCC1=C(O)N(c2ccccc2)[C@H](SCC(=O)Nc2ccc(Cl)cc2Cl)NC1=O
InChIInChI=1S/C19H17Cl2N3O3S/c1-11-17(26)23-19(24(18(11)27)13-5-3-2-4-6-13)28-10-16(25)22-15-8-7-12(20)9-14(15)21/h2-9,19,27H,10H2,1H3,(H,22,25)(H,23,26)/t19-/m1/s1
InChIKeyAMOQVSWQEBWJTG-LJQANCHMSA-N
MW438.34 g/mol
LogP4.37
Rot. Bonds5

About N-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide

N-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 26078455) has the molecular formula C19H17Cl2N3O3S and a molecular weight of 438.34 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide
PubChem CID26078455
Molecular FormulaC19H17Cl2N3O3S
Molecular Weight438.34 g/mol
Exact Mass437.04
IUPAC NameN-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide
SMILESCC1=C(O)N(c2ccccc2)[C@H](SCC(=O)Nc2ccc(Cl)cc2Cl)NC1=O
InChIInChI=1S/C19H17Cl2N3O3S/c1-11-17(26)23-19(24(18(11)27)13-5-3-2-4-6-13)28-10-16(25)22-15-8-7-12(20)9-14(15)21/h2-9,19,27H,10H2,1H3,(H,22,25)(H,23,26)/t19-/m1/s1
InChIKeyAMOQVSWQEBWJTG-LJQANCHMSA-N
XLogP4.37
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.34
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[[(2S)-5-ethyl-4-hydroxy-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide
CID 1286147
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2,4-dichlorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996624
N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 7732087
2-(butylamino)-N-(2,4-dichlorophenyl)acetamide
CID 54815344
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4294773
N-(2,4-dichlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 111542477
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 26589848
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
N-(2,4-dichlorophenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 19164034

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide (CID 26078455) is N-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide is CC1=C(O)N(c2ccccc2)[C@H](SCC(=O)Nc2ccc(Cl)cc2Cl)NC1=O.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is AMOQVSWQEBWJTG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S/c1-11-17(26)23-19(24(18(11)27)13-5-3-2-4-6-13)28-10-16(25)22-15-8-7-12(20)9-14(15)21/h2-9,19,27H,10H2,1H3,(H,22,25)(H,23,26)/t19-/m1/s1.
What are the key properties of N-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide?
N-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 438.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[[(2R)-4-hydroxy-5-methyl-6-oxo-3-phenyl-1,2-dihydropyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 26078455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).