N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide

C14H20F3N3OS — CID 75799947

IUPACN,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
SMILESCC(Sc1nccc(C(F)(F)F)n1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H20F3N3OS/c1-8(2)20(9(3)4)12(21)10(5)22-13-18-7-6-11(19-13)14(15,16)17/h6-10H,1-5H3
InChIKeyKXGADHCAELOLFA-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.62
Rot. Bonds5

About N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide

N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide (PubChem CID 75799947) has the molecular formula C14H20F3N3OS and a molecular weight of 335.40 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
PubChem CID75799947
Molecular FormulaC14H20F3N3OS
Molecular Weight335.40 g/mol
Exact Mass335.13
IUPAC NameN,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
SMILESCC(Sc1nccc(C(F)(F)F)n1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H20F3N3OS/c1-8(2)20(9(3)4)12(21)10(5)22-13-18-7-6-11(19-13)14(15,16)17/h6-10H,1-5H3
InChIKeyKXGADHCAELOLFA-UHFFFAOYSA-N
XLogP3.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 46518661
N-(4-sulfamoylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 46519227
2,2-dimethyl-N-[4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoyl]phenyl]propanamide
CID 55521769
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 46519193
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one
CID 25466419
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 46540580
N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 134026484
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one
CID 24634188
N-(3-methylbutan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 46518668
2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158479
2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
CID 64586044
N-cyclohexyl-2-phenyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 86207793

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide?
The IUPAC name of N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide (CID 75799947) is N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide is CC(Sc1nccc(C(F)(F)F)n1)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide?
The InChIKey is KXGADHCAELOLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3OS/c1-8(2)20(9(3)4)12(21)10(5)22-13-18-7-6-11(19-13)14(15,16)17/h6-10H,1-5H3.
What are the key properties of N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide?
N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide has a molecular weight of 335.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 75799947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).