2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide

C19H24N4O2S — CID 35305549

IUPAC2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)CCc1c(C)nc(SC)nc1C
InChIInChI=1S/C19H24N4O2S/c1-5-20-18(25)15-8-6-7-9-16(15)23-17(24)11-10-14-12(2)21-19(26-4)22-13(14)3/h6-9H,5,10-11H2,1-4H3,(H,20,25)(H,23,24)
InChIKeyIZVXEKGUCBCAQL-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.14
Rot. Bonds7

About 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide

2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide (PubChem CID 35305549) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide
PubChem CID35305549
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)CCc1c(C)nc(SC)nc1C
InChIInChI=1S/C19H24N4O2S/c1-5-20-18(25)15-8-6-7-9-16(15)23-17(24)11-10-14-12(2)21-19(26-4)22-13(14)3/h6-9H,5,10-11H2,1-4H3,(H,20,25)(H,23,24)
InChIKeyIZVXEKGUCBCAQL-UHFFFAOYSA-N
XLogP3.14
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-ethylpropanamide
CID 51204837
methyl 2-[[2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyloxy]acetyl]amino]benzoate
CID 8530834
[2-(2-methylsulfanylanilino)-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
CID 8530792
2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide
CID 17179030
N-cyclopentyl-2-[3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzamide
CID 28542655
3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(2-ethylphenyl)propanamide
CID 8927568
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxyphenyl)propanamide
CID 7667879
N-[2-(2-chloroanilino)-2-oxoethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-methylpropanamide
CID 9145710
N-[4-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 30784048
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-nitroanilino)ethyl]propanamide
CID 9278957
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-ethylphenyl)propanamide
CID 7603292
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 55466376

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide?
The IUPAC name of 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide (CID 35305549) is 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide.
What is the SMILES notation for 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide?
The canonical SMILES for 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide is CCNC(=O)c1ccccc1NC(=O)CCc1c(C)nc(SC)nc1C.
What is the InChIKey of 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide?
The InChIKey is IZVXEKGUCBCAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-5-20-18(25)15-8-6-7-9-16(15)23-17(24)11-10-14-12(2)21-19(26-4)22-13(14)3/h6-9H,5,10-11H2,1-4H3,(H,20,25)(H,23,24).
What are the key properties of 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide?
2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-ethylbenzamide is sourced from PubChem (CID 35305549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).