N-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide

C18H17F3N4O3S — CID 136616987

IUPACN-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide
SMILESO=C(CSc1nc(CC(=O)NC2CC2)cc(=O)[nH]1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N4O3S/c19-18(20,21)12-3-1-2-4-13(12)24-16(28)9-29-17-23-11(8-15(27)25-17)7-14(26)22-10-5-6-10/h1-4,8,10H,5-7,9H2,(H,22,26)(H,24,28)(H,23,25,27)
InChIKeyYZEINTLERSIJNG-UHFFFAOYSA-N
MW426.42 g/mol
LogP2.34
Rot. Bonds7

About N-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide

N-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide (PubChem CID 136616987) has the molecular formula C18H17F3N4O3S and a molecular weight of 426.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide
PubChem CID136616987
Molecular FormulaC18H17F3N4O3S
Molecular Weight426.42 g/mol
Exact Mass426.10
IUPAC NameN-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide
SMILESO=C(CSc1nc(CC(=O)NC2CC2)cc(=O)[nH]1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N4O3S/c19-18(20,21)12-3-1-2-4-13(12)24-16(28)9-29-17-23-11(8-15(27)25-17)7-14(26)22-10-5-6-10/h1-4,8,10H,5-7,9H2,(H,22,26)(H,24,28)(H,23,25,27)
InChIKeyYZEINTLERSIJNG-UHFFFAOYSA-N
XLogP2.34
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 136617002
N-cyclopropyl-2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 136617029
N-cyclopropyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 136617005
2-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-cyclopropylacetamide
CID 136617009
2-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-prop-2-enylacetamide
CID 136617091
N-cyclopentyl-2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135561678
2-[(5-ethyl-6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135500217
methyl 2-[2-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135780798
2-[[2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 135996140
2-(1H-1,2,4-triazol-5-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 704548
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7250950
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 135453641

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide (CID 136616987) is N-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide is O=C(CSc1nc(CC(=O)NC2CC2)cc(=O)[nH]1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide?
The InChIKey is YZEINTLERSIJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3S/c19-18(20,21)12-3-1-2-4-13(12)24-16(28)9-29-17-23-11(8-15(27)25-17)7-14(26)22-10-5-6-10/h1-4,8,10H,5-7,9H2,(H,22,26)(H,24,28)(H,23,25,27).
What are the key properties of N-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide?
N-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide has a molecular weight of 426.42 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[6-oxo-2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1H-pyrimidin-4-yl]acetamide is sourced from PubChem (CID 136616987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).