N-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C19H16F3N3OS — CID 18272299

IUPACN-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCCN(C(=O)CSc1nccc(C(F)(F)F)n1)c1cccc2ccccc12
InChIInChI=1S/C19H16F3N3OS/c1-2-25(15-9-5-7-13-6-3-4-8-14(13)15)17(26)12-27-18-23-11-10-16(24-18)19(20,21)22/h3-11H,2,12H2,1H3
InChIKeyLGCOKCZTQVKSRR-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.79
Rot. Bonds5

About N-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 18272299) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is N-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID18272299
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC NameN-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCCN(C(=O)CSc1nccc(C(F)(F)F)n1)c1cccc2ccccc12
InChIInChI=1S/C19H16F3N3OS/c1-2-25(15-9-5-7-13-6-3-4-8-14(13)15)17(26)12-27-18-23-11-10-16(24-18)19(20,21)22/h3-11H,2,12H2,1H3
InChIKeyLGCOKCZTQVKSRR-UHFFFAOYSA-N
XLogP4.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 18272299) is N-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is CCN(C(=O)CSc1nccc(C(F)(F)F)n1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is LGCOKCZTQVKSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c1-2-25(15-9-5-7-13-6-3-4-8-14(13)15)17(26)12-27-18-23-11-10-16(24-18)19(20,21)22/h3-11H,2,12H2,1H3.
What are the key properties of N-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 391.42 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-naphthalen-1-yl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 18272299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).