2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H12F3N3O2S2 — CID 2811868

IUPAC2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1nccc(-c2cccs2)n1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H12F3N3O2S2/c18-17(19,20)25-12-5-3-11(4-6-12)22-15(24)10-27-16-21-8-7-13(23-16)14-2-1-9-26-14/h1-9H,10H2,(H,22,24)
InChIKeySCRJFIVBEVCUDH-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.83
Rot. Bonds6

About 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 2811868) has the molecular formula C17H12F3N3O2S2 and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID2811868
Molecular FormulaC17H12F3N3O2S2
Molecular Weight411.43 g/mol
Exact Mass411.03
IUPAC Name2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1nccc(-c2cccs2)n1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H12F3N3O2S2/c18-17(19,20)25-12-5-3-11(4-6-12)22-15(24)10-27-16-21-8-7-13(23-16)14-2-1-9-26-14/h1-9H,10H2,(H,22,24)
InChIKeySCRJFIVBEVCUDH-UHFFFAOYSA-N
XLogP4.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 14347091
2-[4-(4-Methoxy-phenyl)-6-trifluoromethyl-pyrimidin-2-ylsulfanyl]-N-thiophen-2-ylmethyl-acetamide
CID 993318
N-(3,4-dimethoxyphenyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 1152329
N-(3-chloro-4-methoxyphenyl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 1152397
1-(4-Methoxyphenyl)-3-[(4-methyl-2-pyrimidinyl)sulfanyl]-2,5-pyrrolidinedione
CID 2885975
N-(2,4-dimethoxyphenyl)-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]acetamide
CID 3145739
2-(Ethylamino)-8-(4-methoxyphenyl)-6-thiophen-2-ylpteridin-7-one
CID 3233741
3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 4231518
N-(4-methoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 6458060
N-(4-Methoxyphenyl)-4-(2-thienyl)-2-pyrimidinamine
CID 14346981
N-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine
CID 14347094
6-(2-methylthiazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 42635644

Frequently Asked Questions

What is the IUPAC name of 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 2811868) is 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CSc1nccc(-c2cccs2)n1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is SCRJFIVBEVCUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2S2/c18-17(19,20)25-12-5-3-11(4-6-12)22-15(24)10-27-16-21-8-7-13(23-16)14-2-1-9-26-14/h1-9H,10H2,(H,22,24).
What are the key properties of 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 411.43 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 2811868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).