N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C19H22F3N3O3S — CID 71797003

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)n1
InChIInChI=1S/C19H22F3N3O3S/c1-12(2)29(27,28)15-6-4-14(5-7-15)11-18(26)23-9-8-17-24-13(3)10-16(25-17)19(20,21)22/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,26)
InChIKeyDJOYSQMQLJHEMJ-UHFFFAOYSA-N
MW429.46 g/mol
LogP2.89
Rot. Bonds7

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 71797003) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID71797003
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)n1
InChIInChI=1S/C19H22F3N3O3S/c1-12(2)29(27,28)15-6-4-14(5-7-15)11-18(26)23-9-8-17-24-13(3)10-16(25-17)19(20,21)22/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,26)
InChIKeyDJOYSQMQLJHEMJ-UHFFFAOYSA-N
XLogP2.89
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 9930803
N-benzyl-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 9931215
N-(3,5-dimethylbenzyl)-3-(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-2,6-diaminopyrimidin-4-yl)propanamide
CID 11410373
N-sec-butyl-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 45268661
N-(2,2-dimethylpropyl)-2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 71625461
2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 24205505
2-(4-methylsulfonylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 44456591
N-(4-methylbenzyl)-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 45270336
2-(4-((5,5-dioxido-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino)phenyl)-N-propylacetamide
CID 71625350
N-benzyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 11429689
2-(4-methylsulfonylphenyl)-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 44456545
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 44456593

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 71797003) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)n1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is DJOYSQMQLJHEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-12(2)29(27,28)15-6-4-14(5-7-15)11-18(26)23-9-8-17-24-13(3)10-16(25-17)19(20,21)22/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,26).
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 429.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 71797003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).