N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C16H15F3N4O2S — CID 24634175

IUPACN-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)NC(=O)CSc2nccc(C(F)(F)F)n2)cc1C
InChIInChI=1S/C16H15F3N4O2S/c1-9-3-4-11(7-10(9)2)21-14(25)23-13(24)8-26-15-20-6-5-12(22-15)16(17,18)19/h3-7H,8H2,1-2H3,(H2,21,23,24,25)
InChIKeyHJTFOKREIXBLEB-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.55
Rot. Bonds4

About N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 24634175) has the molecular formula C16H15F3N4O2S and a molecular weight of 384.38 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID24634175
Molecular FormulaC16H15F3N4O2S
Molecular Weight384.38 g/mol
Exact Mass384.09
IUPAC NameN-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)NC(=O)CSc2nccc(C(F)(F)F)n2)cc1C
InChIInChI=1S/C16H15F3N4O2S/c1-9-3-4-11(7-10(9)2)21-14(25)23-13(24)8-26-15-20-6-5-12(22-15)16(17,18)19/h3-7H,8H2,1-2H3,(H2,21,23,24,25)
InChIKeyHJTFOKREIXBLEB-UHFFFAOYSA-N
XLogP3.55
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 134026438
N-[4-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 17024194
2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone
CID 134026450
N-(3,4-dimethylphenyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 2722048
N-(3-methylbutan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 46518668
N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 46519126
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18284884
2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158479
N-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 9445190
N-benzyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158484
N-[1-(1-adamantyl)ethyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158505
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide
CID 55443480

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 24634175) is N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is Cc1ccc(NC(=O)NC(=O)CSc2nccc(C(F)(F)F)n2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is HJTFOKREIXBLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2S/c1-9-3-4-11(7-10(9)2)21-14(25)23-13(24)8-26-15-20-6-5-12(22-15)16(17,18)19/h3-7H,8H2,1-2H3,(H2,21,23,24,25).
What are the key properties of N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 384.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 24634175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).