3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide

C18H22N4O2S2 — CID 17407813

IUPAC3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCc2c(C)nc(SCC(N)=O)nc2C)c1
InChIInChI=1S/C18H22N4O2S2/c1-11-15(12(2)21-18(20-11)26-10-16(19)23)7-8-17(24)22-13-5-4-6-14(9-13)25-3/h4-6,9H,7-8,10H2,1-3H3,(H2,19,23)(H,22,24)
InChIKeyUWTZDGUKAJDWQQ-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.96
Rot. Bonds8

About 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide

3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 17407813) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide
PubChem CID17407813
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC Name3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)CCc2c(C)nc(SCC(N)=O)nc2C)c1
InChIInChI=1S/C18H22N4O2S2/c1-11-15(12(2)21-18(20-11)26-10-16(19)23)7-8-17(24)22-13-5-4-6-14(9-13)25-3/h4-6,9H,7-8,10H2,1-3H3,(H2,19,23)(H,22,24)
InChIKeyUWTZDGUKAJDWQQ-UHFFFAOYSA-N
XLogP2.96
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-tert-butyl-3,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 23604082
N-[3-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 39131647
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide
CID 19318390
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56507566
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylsulfanylphenyl)propanamide
CID 20863128
3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-[(3-chlorophenyl)methyl]propanamide
CID 9402240
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 46598990
4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 119262097
ethyl 1-[3-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate
CID 38606807
4-(3-methylsulfanylanilino)-4-oxobutanoate
CID 4085618
2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 738709
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-pyrazin-2-yloxyphenyl)propanamide
CID 39263709

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide (CID 17407813) is 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)CCc2c(C)nc(SCC(N)=O)nc2C)c1.
What is the InChIKey of 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is UWTZDGUKAJDWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-11-15(12(2)21-18(20-11)26-10-16(19)23)7-8-17(24)22-13-5-4-6-14(9-13)25-3/h4-6,9H,7-8,10H2,1-3H3,(H2,19,23)(H,22,24).
What are the key properties of 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide?
3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 390.53 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 17407813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).