N-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide

C19H24ClN3OS — CID 25493197

IUPACN-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
SMILESCC[C@H](NC(=O)CCc1c(C)nc(SC)nc1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3OS/c1-5-17(14-6-8-15(20)9-7-14)23-18(24)11-10-16-12(2)21-19(25-4)22-13(16)3/h6-9,17H,5,10-11H2,1-4H3,(H,23,24)/t17-/m0/s1
InChIKeyTYHIXIPZYXSVAL-KRWDZBQOSA-N
MW377.94 g/mol
LogP4.67
Rot. Bonds7

About N-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide

N-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide (PubChem CID 25493197) has the molecular formula C19H24ClN3OS and a molecular weight of 377.94 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
PubChem CID25493197
Molecular FormulaC19H24ClN3OS
Molecular Weight377.94 g/mol
Exact Mass377.13
IUPAC NameN-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
SMILESCC[C@H](NC(=O)CCc1c(C)nc(SC)nc1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3OS/c1-5-17(14-6-8-15(20)9-7-14)23-18(24)11-10-16-12(2)21-19(25-4)22-13(16)3/h6-9,17H,5,10-11H2,1-4H3,(H,23,24)/t17-/m0/s1
InChIKeyTYHIXIPZYXSVAL-KRWDZBQOSA-N
XLogP4.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 9155923
N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 25486074
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-ethylpropanamide
CID 51204837
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
CID 8534655
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 9396797
N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide
CID 55871607
N-[(1S)-1-cyanoethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 95253870
(2S)-2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-N-propylpropanamide
CID 9227885
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(1R,2S)-1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]propanamide
CID 97095375
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 18198236
5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide
CID 107908718

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide (CID 25493197) is N-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide is CC[C@H](NC(=O)CCc1c(C)nc(SC)nc1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
The InChIKey is TYHIXIPZYXSVAL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24ClN3OS/c1-5-17(14-6-8-15(20)9-7-14)23-18(24)11-10-16-12(2)21-19(25-4)22-13(16)3/h6-9,17H,5,10-11H2,1-4H3,(H,23,24)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
N-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide has a molecular weight of 377.94 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 25493197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).