N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

C18H23N3OS2 — CID 8809774

IUPACN-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCSc1ccc(CN(C)C(=O)CSc2nc(C)c(C)c(C)n2)cc1
InChIInChI=1S/C18H23N3OS2/c1-12-13(2)19-18(20-14(12)3)24-11-17(22)21(4)10-15-6-8-16(23-5)9-7-15/h6-9H,10-11H2,1-5H3
InChIKeySPCCXNRJMUACAL-UHFFFAOYSA-N
MW361.54 g/mol
LogP3.87
Rot. Bonds6

About N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 8809774) has the molecular formula C18H23N3OS2 and a molecular weight of 361.54 g/mol. Its IUPAC name is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID8809774
Molecular FormulaC18H23N3OS2
Molecular Weight361.54 g/mol
Exact Mass361.13
IUPAC NameN-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCSc1ccc(CN(C)C(=O)CSc2nc(C)c(C)c(C)n2)cc1
InChIInChI=1S/C18H23N3OS2/c1-12-13(2)19-18(20-14(12)3)24-11-17(22)21(4)10-15-6-8-16(23-5)9-7-15/h6-9H,10-11H2,1-5H3
InChIKeySPCCXNRJMUACAL-UHFFFAOYSA-N
XLogP3.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 30317011
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809759
3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115139196
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-sulfanylpropanamide
CID 115167959
N-methyl-N-[(4-methylsulfanylphenyl)methyl]carbamoyl bromide
CID 115193789
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 8682496
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 55578363
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809788
2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 8562137
(2R)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-phenylacetamide
CID 61163105
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410
N-benzyl-N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 8729649

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide (CID 8809774) is N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is CSc1ccc(CN(C)C(=O)CSc2nc(C)c(C)c(C)n2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is SPCCXNRJMUACAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS2/c1-12-13(2)19-18(20-14(12)3)24-11-17(22)21(4)10-15-6-8-16(23-5)9-7-15/h6-9H,10-11H2,1-5H3.
What are the key properties of N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide?
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 361.54 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 8809774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).