N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide

C19H18ClN3O3S — CID 46332044

IUPACN-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2cc(=O)n3cccc(C)c3n2)cc1Cl
InChIInChI=1S/C19H18ClN3O3S/c1-12-4-3-7-23-18(25)9-14(22-19(12)23)10-27-11-17(24)21-13-5-6-16(26-2)15(20)8-13/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyXHXISDNSJSSWNL-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.54
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide (PubChem CID 46332044) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide
PubChem CID46332044
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2cc(=O)n3cccc(C)c3n2)cc1Cl
InChIInChI=1S/C19H18ClN3O3S/c1-12-4-3-7-23-18(25)9-14(22-19(12)23)10-27-11-17(24)21-13-5-6-16(26-2)15(20)8-13/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyXHXISDNSJSSWNL-UHFFFAOYSA-N
XLogP3.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide with MolForge

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 46332027
N-(3-chloro-4-methoxyphenyl)-2-[[5-[(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 20899095
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 55599394
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2959650
N-(3-chloro-4-methoxyphenyl)-2-[[4-(ethylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136686535
N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
CID 46367648
N-(3-chloro-4-methoxyphenyl)-2-[8-(2-methylphenoxy)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53141865
1-(2-methoxy-5-methylphenyl)-3-[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356200
2-[(2-amino-2-methylpropyl)sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 66230419
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975
3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356067
N-[4-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide
CID 46356216

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide (CID 46332044) is N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide is COc1ccc(NC(=O)CSCc2cc(=O)n3cccc(C)c3n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide?
The InChIKey is XHXISDNSJSSWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-12-4-3-7-23-18(25)9-14(22-19(12)23)10-27-11-17(24)21-13-5-6-16(26-2)15(20)8-13/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide has a molecular weight of 403.89 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 46332044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).