N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide

C15H14F3N3O4S — CID 155959198

IUPACN-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide
SMILESO=C(CS(=O)(=O)CCC(F)(F)F)Nc1ccc(Oc2ccncn2)cc1
InChIInChI=1S/C15H14F3N3O4S/c16-15(17,18)6-8-26(23,24)9-13(22)21-11-1-3-12(4-2-11)25-14-5-7-19-10-20-14/h1-5,7,10H,6,8-9H2,(H,21,22)
InChIKeyPVRPYCWWEDFPCY-UHFFFAOYSA-N
MW389.36 g/mol
LogP2.57
Rot. Bonds7

About N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide

N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide (PubChem CID 155959198) has the molecular formula C15H14F3N3O4S and a molecular weight of 389.36 g/mol. Its IUPAC name is N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide
PubChem CID155959198
Molecular FormulaC15H14F3N3O4S
Molecular Weight389.36 g/mol
Exact Mass389.07
IUPAC NameN-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide
SMILESO=C(CS(=O)(=O)CCC(F)(F)F)Nc1ccc(Oc2ccncn2)cc1
InChIInChI=1S/C15H14F3N3O4S/c16-15(17,18)6-8-26(23,24)9-13(22)21-11-1-3-12(4-2-11)25-14-5-7-19-10-20-14/h1-5,7,10H,6,8-9H2,(H,21,22)
InChIKeyPVRPYCWWEDFPCY-UHFFFAOYSA-N
XLogP2.57
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate
CID 133058698
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 25231150
1-(4-methoxyphenyl)-3-(4-pyrimidin-4-yloxyphenyl)urea
CID 58930976
2-(4-cyclopropylpyrazol-1-yl)-N-(4-pyrimidin-4-yloxyphenyl)acetamide
CID 166397651
3-(3-but-3-ynyldiazirin-3-yl)-N-(4-pyrimidin-4-yloxyphenyl)propanamide
CID 166409456
4-(4-pyrimidin-4-yloxybenzoyl)benzoic acid
CID 58302684
4,4,4-trifluoro-N-pyridin-4-ylbutanamide
CID 155981646
2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 166194514
2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide
CID 81187922
4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine
CID 165349057
2-(2-amino-2-sulfanylideneethyl)sulfonyl-N-(4-ethoxyphenyl)acetamide
CID 39159146
N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 11315983

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide?
The IUPAC name of N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide (CID 155959198) is N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide.
What is the SMILES notation for N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide?
The canonical SMILES for N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide is O=C(CS(=O)(=O)CCC(F)(F)F)Nc1ccc(Oc2ccncn2)cc1.
What is the InChIKey of N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide?
The InChIKey is PVRPYCWWEDFPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4S/c16-15(17,18)6-8-26(23,24)9-13(22)21-11-1-3-12(4-2-11)25-14-5-7-19-10-20-14/h1-5,7,10H,6,8-9H2,(H,21,22).
What are the key properties of N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide?
N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide has a molecular weight of 389.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-4-yloxyphenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide is sourced from PubChem (CID 155959198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).