N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide

C19H24N4O2S — CID 43046729

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)Sc2nc(C)c(C)c(C)n2)c(C)c1
InChIInChI=1S/C19H24N4O2S/c1-10-7-8-16(11(2)9-10)22-18(25)23-17(24)15(6)26-19-20-13(4)12(3)14(5)21-19/h7-9,15H,1-6H3,(H2,22,23,24,25)
InChIKeyKTFPKNHRPUESGL-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.85
Rot. Bonds4

About N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide (PubChem CID 43046729) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
PubChem CID43046729
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)Sc2nc(C)c(C)c(C)n2)c(C)c1
InChIInChI=1S/C19H24N4O2S/c1-10-7-8-16(11(2)9-10)22-18(25)23-17(24)15(6)26-19-20-13(4)12(3)14(5)21-19/h7-9,15H,1-6H3,(H2,22,23,24,25)
InChIKeyKTFPKNHRPUESGL-UHFFFAOYSA-N
XLogP3.85
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 25332600
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 46583741
2-(3,4-difluorophenyl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 24651837
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 112815810
N-[(2,4-dimethylphenyl)carbamoyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 134038781
2-(5,6-dimethyl-4-oxo-3-propan-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 55533561
(2S)-N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8553850
N-(2,4-dimethylphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51318164
N-[(2,4-dimethylphenyl)carbamoyl]-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanamide
CID 46529920
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 43046792
N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 24651805
(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
CID 846798

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide (CID 43046729) is N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide is Cc1ccc(NC(=O)NC(=O)C(C)Sc2nc(C)c(C)c(C)n2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is KTFPKNHRPUESGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-10-7-8-16(11(2)9-10)22-18(25)23-17(24)15(6)26-19-20-13(4)12(3)14(5)21-19/h7-9,15H,1-6H3,(H2,22,23,24,25).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 372.49 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 43046729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).