N-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C15H16F3N3OS2 — CID 3145753

IUPACN-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCCC(C)NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3OS2/c1-3-9(2)19-13(22)8-24-14-20-10(11-5-4-6-23-11)7-12(21-14)15(16,17)18/h4-7,9H,3,8H2,1-2H3,(H,19,22)
InChIKeySWMOBUHHGCQSJK-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.23
Rot. Bonds6

About N-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 3145753) has the molecular formula C15H16F3N3OS2 and a molecular weight of 375.44 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID3145753
Molecular FormulaC15H16F3N3OS2
Molecular Weight375.44 g/mol
Exact Mass375.07
IUPAC NameN-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCCC(C)NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3OS2/c1-3-9(2)19-13(22)8-24-14-20-10(11-5-4-6-23-11)7-12(21-14)15(16,17)18/h4-7,9H,3,8H2,1-2H3,(H,19,22)
InChIKeySWMOBUHHGCQSJK-UHFFFAOYSA-N
XLogP4.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-2,6-dithiophen-2-yl)pyrimidin-4-yl)acetamide
CID 50940965
N-Benzyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 993268
2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 993301
2-(4-Phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1140873
N-Isobutyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 1152385
N-[2-(tert-butyl)phenyl]-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-ylthi o]acetamide
CID 1152412
N-(2,6-dimethylphenyl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 1152424
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 2524618
3-[[6-methyl-2-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]amino]-N-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 44528000
N-(4,6-di(thiophen-2-yl)pyrimidin-2-yl)butyramide
CID 50940944
N-2,6-dithiophen-2-yl)pyrimidin-4-yl)propionamide
CID 50940979
2-((4-(Thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetic acid
CID 777466

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 3145753) is N-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is CCC(C)NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1.
What is the InChIKey of N-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is SWMOBUHHGCQSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS2/c1-3-9(2)19-13(22)8-24-14-20-10(11-5-4-6-23-11)7-12(21-14)15(16,17)18/h4-7,9H,3,8H2,1-2H3,(H,19,22).
What are the key properties of N-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 375.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 3145753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).