2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide

C17H19F3N4O2S — CID 174811271

IUPAC2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide
SMILESCC(=O)NC1(C(=O)NC(C)c2cccc(SC(F)(F)F)c2)C=NC=C(C)N1
InChIInChI=1S/C17H19F3N4O2S/c1-10-8-21-9-16(23-10,24-12(3)25)15(26)22-11(2)13-5-4-6-14(7-13)27-17(18,19)20/h4-9,11,23H,1-3H3,(H,22,26)(H,24,25)
InChIKeyAOZAVKNRPVQGPG-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.84
Rot. Bonds5

About 2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide

2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide (PubChem CID 174811271) has the molecular formula C17H19F3N4O2S and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide
PubChem CID174811271
Molecular FormulaC17H19F3N4O2S
Molecular Weight400.43 g/mol
Exact Mass400.12
IUPAC Name2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide
SMILESCC(=O)NC1(C(=O)NC(C)c2cccc(SC(F)(F)F)c2)C=NC=C(C)N1
InChIInChI=1S/C17H19F3N4O2S/c1-10-8-21-9-16(23-10,24-12(3)25)15(26)22-11(2)13-5-4-6-14(7-13)27-17(18,19)20/h4-9,11,23H,1-3H3,(H,22,26)(H,24,25)
InChIKeyAOZAVKNRPVQGPG-UHFFFAOYSA-N
XLogP2.84
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174811279
2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174811038
(2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174811319
N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]pyrimidine-4-carboxamide
CID 159606767
2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174836817
(S)-2-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]propane-2-sulfinamide
CID 67510383
5-phenylmethoxy-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 155962292
N-[3,4-dihydroxy-4-[3-(trifluoromethylsulfanyl)phenyl]butyl]acetamide
CID 171883576
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
5-[1-[4-(trifluoromethylsulfanyl)phenyl]ethylcarbamoyl]thiophene-2-carboxylic acid
CID 141127456
2-amino-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137162876
3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide
CID 170876128

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide?
The IUPAC name of 2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide (CID 174811271) is 2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide.
What is the SMILES notation for 2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide?
The canonical SMILES for 2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide is CC(=O)NC1(C(=O)NC(C)c2cccc(SC(F)(F)F)c2)C=NC=C(C)N1.
What is the InChIKey of 2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide?
The InChIKey is AOZAVKNRPVQGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2S/c1-10-8-21-9-16(23-10,24-12(3)25)15(26)22-11(2)13-5-4-6-14(7-13)27-17(18,19)20/h4-9,11,23H,1-3H3,(H,22,26)(H,24,25).
What are the key properties of 2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide?
2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 174811271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).