N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide

C19H18FN3OS — CID 123965461

IUPACN-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ncc(-c2ccc(F)cc2)nc1-c1cccs1
InChIInChI=1S/C19H18FN3OS/c1-3-12(2)19(24)23-18-17(16-5-4-10-25-16)22-15(11-21-18)13-6-8-14(20)9-7-13/h4-12H,3H2,1-2H3,(H,21,23,24)
InChIKeyZRVHOORESKAXMA-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.00
Rot. Bonds5

About N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide

N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide (PubChem CID 123965461) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide
PubChem CID123965461
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ncc(-c2ccc(F)cc2)nc1-c1cccs1
InChIInChI=1S/C19H18FN3OS/c1-3-12(2)19(24)23-18-17(16-5-4-10-25-16)22-15(11-21-18)13-6-8-14(20)9-7-13/h4-12H,3H2,1-2H3,(H,21,23,24)
InChIKeyZRVHOORESKAXMA-UHFFFAOYSA-N
XLogP5.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[5-[4-(hydroxymethyl)phenyl]-3-thiophen-2-ylpyrazin-2-yl]acetamide
CID 123393100
N-[3,5-bis(4-hydroxyphenyl)pyrazin-2-yl]-2-methylbutanamide
CID 136624987
2-cyclohexyl-N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]acetamide
CID 70830209
2-(4-bromophenyl)-1-[[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]amino]ethanol
CID 163639680
N-[5-(4-hydroxyphenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143001238
N-(3-benzyl-5-phenylpyrazin-2-yl)-2-methylbutanamide
CID 123843502
N-[5-(4-methoxyphenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide
CID 143000514
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide
CID 46511311
N-[5-(4-aminophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-cyclohexylacetamide
CID 123810383
2-cyclohexyl-N-[5-(4-fluorophenyl)-3-(2-methylpropyl)pyrazin-2-yl]acetamide;N-[5-(4-fluorophenyl)-3-(2-methylpropyl)pyrazin-2-yl]acetamide;N-[5-(4-fluorophenyl)-3-(2-methylpropyl)pyrazin-2-yl]-2-methylbutanamide;N-[5-(4-fluorophenyl)-3-(2-methylpropyl)pyrazin-2-yl]-3-methylbutanamide
CID 160808730
2-cyclohexyl-N-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]acetamide;N-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-2-methylbutanamide;N-[3-(cyclohexylmethyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-methylbutanamide
CID 157357352
N-[5-(4-aminophenyl)-3-(2,3-dihydrothiophen-2-yl)pyrazin-2-yl]-2-methylbutanamide
CID 89009470

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide?
The IUPAC name of N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide (CID 123965461) is N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide is CCC(C)C(=O)Nc1ncc(-c2ccc(F)cc2)nc1-c1cccs1.
What is the InChIKey of N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide?
The InChIKey is ZRVHOORESKAXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-3-12(2)19(24)23-18-17(16-5-4-10-25-16)22-15(11-21-18)13-6-8-14(20)9-7-13/h4-12H,3H2,1-2H3,(H,21,23,24).
What are the key properties of N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide?
N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide has a molecular weight of 355.44 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-methylbutanamide is sourced from PubChem (CID 123965461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).